TY  - CONF
AU  - Blagojević Filipović, Jelena P.
AU  - Vojislavljević-Vasilev, Dubravka
AU  - Zarić, Snežana D.
PY  - 2023
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/6344
AB  - The interactions of noncoordinated water or ammonia molecules with aromatic rings, as well as coordintaed water or coordinated ammonia molecules with aromatic rings have been investigated by searching the Cambridge Structural Database (CSD) and through quantum-chemical calculations. The data from the CSD show that for noncoordinated systems distances between the interacting fragments are the shortest in case of negative C6-aromatic groups and the longest in case of positive C6-aromatic groups. In case of contacts between coordinated water or ammonia molecules and C6-aromatic group, oppositely charged fragments are mutually closer than the neutral fragments. The DFT calculations for the water/benzene system yield an interaction energy of -2.97 kcal/mol, while for the [Zn(H2O)6]2+/C6H6 system the interaction energy is -14.72 kcal/mol. For the ammonia/benzene system, the DFT calculations yield an interaction energy of -2.28 kcal/mol, while for the [Zn(NH3)6]2+/C6H6 system it is -15.50 kcal/mol. The results show that there is an influence of water or ammonia coordination on OH/π or NH/π interactions; the interactions of coordinated species are significantly stronger. OH/π and NH/π interactions are comparable in both cases. OH/π interactions are slightly stronger than NH/π interactions in case of noncoordinated molecules due to higher partially positive charge on hydrogen atom of the water molecule, but this is not necessarily the case for the coordinated molecules due to additional interactions that can occur between the benzene ring and the other ligands present in the complex.
C3  - 2nd International Conference on Chemo and Bioinformatics (ICCBIKG_2023), Book of Proceedings, 28-29 September 2023, Kragujevac, Serbia, 2023
T1  - Influence of Coordination on OH/π and NH/π Interactions
DO  - 10.46793/ICCBI23.649BF
ER  - 

@conference{
author = "Blagojević Filipović, Jelena P. and Vojislavljević-Vasilev, Dubravka and Zarić, Snežana D.",
year = "2023",
abstract = "The interactions of noncoordinated water or ammonia molecules with aromatic rings, as well as coordintaed water or coordinated ammonia molecules with aromatic rings have been investigated by searching the Cambridge Structural Database (CSD) and through quantum-chemical calculations. The data from the CSD show that for noncoordinated systems distances between the interacting fragments are the shortest in case of negative C6-aromatic groups and the longest in case of positive C6-aromatic groups. In case of contacts between coordinated water or ammonia molecules and C6-aromatic group, oppositely charged fragments are mutually closer than the neutral fragments. The DFT calculations for the water/benzene system yield an interaction energy of -2.97 kcal/mol, while for the [Zn(H2O)6]2+/C6H6 system the interaction energy is -14.72 kcal/mol. For the ammonia/benzene system, the DFT calculations yield an interaction energy of -2.28 kcal/mol, while for the [Zn(NH3)6]2+/C6H6 system it is -15.50 kcal/mol. The results show that there is an influence of water or ammonia coordination on OH/π or NH/π interactions; the interactions of coordinated species are significantly stronger. OH/π and NH/π interactions are comparable in both cases. OH/π interactions are slightly stronger than NH/π interactions in case of noncoordinated molecules due to higher partially positive charge on hydrogen atom of the water molecule, but this is not necessarily the case for the coordinated molecules due to additional interactions that can occur between the benzene ring and the other ligands present in the complex.",
journal = "2nd International Conference on Chemo and Bioinformatics (ICCBIKG_2023), Book of Proceedings, 28-29 September 2023, Kragujevac, Serbia, 2023",
title = "Influence of Coordination on OH/π and NH/π Interactions",
doi = "10.46793/ICCBI23.649BF"
}

Blagojević Filipović, J. P., Vojislavljević-Vasilev, D.,& Zarić, S. D.. (2023). Influence of Coordination on OH/π and NH/π Interactions. in 2nd International Conference on Chemo and Bioinformatics (ICCBIKG_2023), Book of Proceedings, 28-29 September 2023, Kragujevac, Serbia, 2023.
https://doi.org/10.46793/ICCBI23.649BF

Blagojević Filipović JP, Vojislavljević-Vasilev D, Zarić SD. Influence of Coordination on OH/π and NH/π Interactions. in 2nd International Conference on Chemo and Bioinformatics (ICCBIKG_2023), Book of Proceedings, 28-29 September 2023, Kragujevac, Serbia, 2023. 2023;.
doi:10.46793/ICCBI23.649BF .

Blagojević Filipović, Jelena P., Vojislavljević-Vasilev, Dubravka, Zarić, Snežana D., "Influence of Coordination on OH/π and NH/π Interactions" in 2nd International Conference on Chemo and Bioinformatics (ICCBIKG_2023), Book of Proceedings, 28-29 September 2023, Kragujevac, Serbia, 2023 (2023),
https://doi.org/10.46793/ICCBI23.649BF . .

TY  - CONF
AU  - Malenov, Dušan P.
AU  - Ćeranić, Katarina
AU  - Vojislavljević-Vasilev, Dubravka
AU  - Zarić, Snežana D.
PY  - 2023
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/6363
C3  - 2nd International Conference on Chemo and Bioinformatics (ICCBIKG_2023), Book of Proceedings, 28-29 September 2023, Kragujevac, Serbia, 2023
T1  - Modeling ion-π interactions of transition metal complexes
SP  - 621
EP  - 624
UR  - https://hdl.handle.net/21.15107/rcub_cherry_6363
ER  - 

@conference{
author = "Malenov, Dušan P. and Ćeranić, Katarina and Vojislavljević-Vasilev, Dubravka and Zarić, Snežana D.",
year = "2023",
journal = "2nd International Conference on Chemo and Bioinformatics (ICCBIKG_2023), Book of Proceedings, 28-29 September 2023, Kragujevac, Serbia, 2023",
title = "Modeling ion-π interactions of transition metal complexes",
pages = "621-624",
url = "https://hdl.handle.net/21.15107/rcub_cherry_6363"
}

Malenov, D. P., Ćeranić, K., Vojislavljević-Vasilev, D.,& Zarić, S. D.. (2023). Modeling ion-π interactions of transition metal complexes. in 2nd International Conference on Chemo and Bioinformatics (ICCBIKG_2023), Book of Proceedings, 28-29 September 2023, Kragujevac, Serbia, 2023, 621-624.
https://hdl.handle.net/21.15107/rcub_cherry_6363

Malenov DP, Ćeranić K, Vojislavljević-Vasilev D, Zarić SD. Modeling ion-π interactions of transition metal complexes. in 2nd International Conference on Chemo and Bioinformatics (ICCBIKG_2023), Book of Proceedings, 28-29 September 2023, Kragujevac, Serbia, 2023. 2023;:621-624.
https://hdl.handle.net/21.15107/rcub_cherry_6363 .

Malenov, Dušan P., Ćeranić, Katarina, Vojislavljević-Vasilev, Dubravka, Zarić, Snežana D., "Modeling ion-π interactions of transition metal complexes" in 2nd International Conference on Chemo and Bioinformatics (ICCBIKG_2023), Book of Proceedings, 28-29 September 2023, Kragujevac, Serbia, 2023 (2023):621-624,
https://hdl.handle.net/21.15107/rcub_cherry_6363 .

TY  - CONF
AU  - Malenov, Dušan P.
AU  - (Andrić) Živković, Jelena
AU  - Vojislavljević-Vasilev, Dubravka
AU  - Zarić, Snežana D.
PY  - 2023
UR  - https://physics.mff.cuni.cz/kchfo/MIB23/doc/BoA_final.pdf
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/6367
C3  - Modeling Interactions in Biomolecules IX, Book of Abstracts, Pruhonice, Prague-Pruhonice, Czech Republic, 10th-14th September 2023
T1  - Coordinated Water as Hydrogen Bond Acceptor: Crystallographic and Quantum Chemical Study
UR  - https://hdl.handle.net/21.15107/rcub_cherry_6367
ER  - 

@conference{
author = "Malenov, Dušan P. and (Andrić) Živković, Jelena and Vojislavljević-Vasilev, Dubravka and Zarić, Snežana D.",
year = "2023",
journal = "Modeling Interactions in Biomolecules IX, Book of Abstracts, Pruhonice, Prague-Pruhonice, Czech Republic, 10th-14th September 2023",
title = "Coordinated Water as Hydrogen Bond Acceptor: Crystallographic and Quantum Chemical Study",
url = "https://hdl.handle.net/21.15107/rcub_cherry_6367"
}

Malenov, D. P., (Andrić) Živković, J., Vojislavljević-Vasilev, D.,& Zarić, S. D.. (2023). Coordinated Water as Hydrogen Bond Acceptor: Crystallographic and Quantum Chemical Study. in Modeling Interactions in Biomolecules IX, Book of Abstracts, Pruhonice, Prague-Pruhonice, Czech Republic, 10th-14th September 2023.
https://hdl.handle.net/21.15107/rcub_cherry_6367

Malenov DP, (Andrić) Živković J, Vojislavljević-Vasilev D, Zarić SD. Coordinated Water as Hydrogen Bond Acceptor: Crystallographic and Quantum Chemical Study. in Modeling Interactions in Biomolecules IX, Book of Abstracts, Pruhonice, Prague-Pruhonice, Czech Republic, 10th-14th September 2023. 2023;.
https://hdl.handle.net/21.15107/rcub_cherry_6367 .

Malenov, Dušan P., (Andrić) Živković, Jelena, Vojislavljević-Vasilev, Dubravka, Zarić, Snežana D., "Coordinated Water as Hydrogen Bond Acceptor: Crystallographic and Quantum Chemical Study" in Modeling Interactions in Biomolecules IX, Book of Abstracts, Pruhonice, Prague-Pruhonice, Czech Republic, 10th-14th September 2023 (2023),
https://hdl.handle.net/21.15107/rcub_cherry_6367 .

TY  - CONF
AU  - Malenov, Dušan P.
AU  - (Andrić) Živković, Jelena
AU  - Vojislavljević-Vasilev, Dubravka
AU  - Zarić, Snežana D.
PY  - 2023
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/6368
AB  - Hydrogen bond is arguably the most famous of all noncovalent interactions. The majority of contacts between water molecules in the solid state are hydrogen bonds, with a substantial number of antiparallel dipolar interactions as well.1 The crystallographic and quantum chemical studies have shown that the strength of hydrogen bonds of water can be increased by metal coordination.2,3 These previous studies considered coordinated water as hydrogen bond donor. In this study, we wanted to investigate the possibility of coordinated water acting as hydrogen bond acceptor.  The Cambridge Structural Database (CSD) search yielded 1229 hydrogen bonds between coordinated water as hydrogen bond acceptor and uncoordinated water as hydrogen bond donor. These hydrogen bonds are somewhat longer and less directional than hydrogen bonds with donor coordinated water. The strength of these hydrogen bonds was evaluated at the B97D/def2-TZVP level of theory, both on the structures found in the CSD, as well as on the model systems. The obtained energies cover a wide range of values (Figure 1), depending on the charge of the complex, and they can be comparable to the energy of hydrogen bond between two uncoordinated water molecules (-4.84 kcal/mol),2 or even significantly more favorable if the complex is negatively charged. If the complex is positively charged, these interactions are repulsive (Figure 1), but they are still frequently encountered (444 interactions in crystal structures), simultaneously with other (attractive) interactions.  The strength of interactions shows dependence on the orientation of both hydrogen atoms of uncoordinated water, and it is in general greatly influenced by additional contacts of uncoordinated water with neighboring ligands of the metal complex. Even though it is difficult to estimate how strong these interactions are alone, the calculated interaction energies suggest that coordinated water is a better hydrogen bond donor than hydrogen bond acceptor. However, coordinated water acting as hydrogen bond acceptor gives more opportunities for additional interactions, making the supramolecular systems containing studied hydrogen bonds more stable.
C3  - The van der Waals – London Discussions, Strasbourg, France, Book of Abstracts, 2023.
T1  - Can Coordinated Water Be a Good Hydrogen Bond Acceptor?
UR  - https://hdl.handle.net/21.15107/rcub_cherry_6368
ER  - 

@conference{
author = "Malenov, Dušan P. and (Andrić) Živković, Jelena and Vojislavljević-Vasilev, Dubravka and Zarić, Snežana D.",
year = "2023",
abstract = "Hydrogen bond is arguably the most famous of all noncovalent interactions. The majority of contacts between water molecules in the solid state are hydrogen bonds, with a substantial number of antiparallel dipolar interactions as well.1 The crystallographic and quantum chemical studies have shown that the strength of hydrogen bonds of water can be increased by metal coordination.2,3 These previous studies considered coordinated water as hydrogen bond donor. In this study, we wanted to investigate the possibility of coordinated water acting as hydrogen bond acceptor.  The Cambridge Structural Database (CSD) search yielded 1229 hydrogen bonds between coordinated water as hydrogen bond acceptor and uncoordinated water as hydrogen bond donor. These hydrogen bonds are somewhat longer and less directional than hydrogen bonds with donor coordinated water. The strength of these hydrogen bonds was evaluated at the B97D/def2-TZVP level of theory, both on the structures found in the CSD, as well as on the model systems. The obtained energies cover a wide range of values (Figure 1), depending on the charge of the complex, and they can be comparable to the energy of hydrogen bond between two uncoordinated water molecules (-4.84 kcal/mol),2 or even significantly more favorable if the complex is negatively charged. If the complex is positively charged, these interactions are repulsive (Figure 1), but they are still frequently encountered (444 interactions in crystal structures), simultaneously with other (attractive) interactions.  The strength of interactions shows dependence on the orientation of both hydrogen atoms of uncoordinated water, and it is in general greatly influenced by additional contacts of uncoordinated water with neighboring ligands of the metal complex. Even though it is difficult to estimate how strong these interactions are alone, the calculated interaction energies suggest that coordinated water is a better hydrogen bond donor than hydrogen bond acceptor. However, coordinated water acting as hydrogen bond acceptor gives more opportunities for additional interactions, making the supramolecular systems containing studied hydrogen bonds more stable.",
journal = "The van der Waals – London Discussions, Strasbourg, France, Book of Abstracts, 2023.",
title = "Can Coordinated Water Be a Good Hydrogen Bond Acceptor?",
url = "https://hdl.handle.net/21.15107/rcub_cherry_6368"
}

Malenov, D. P., (Andrić) Živković, J., Vojislavljević-Vasilev, D.,& Zarić, S. D.. (2023). Can Coordinated Water Be a Good Hydrogen Bond Acceptor?. in The van der Waals – London Discussions, Strasbourg, France, Book of Abstracts, 2023..
https://hdl.handle.net/21.15107/rcub_cherry_6368

Malenov DP, (Andrić) Živković J, Vojislavljević-Vasilev D, Zarić SD. Can Coordinated Water Be a Good Hydrogen Bond Acceptor?. in The van der Waals – London Discussions, Strasbourg, France, Book of Abstracts, 2023.. 2023;.
https://hdl.handle.net/21.15107/rcub_cherry_6368 .

Malenov, Dušan P., (Andrić) Živković, Jelena, Vojislavljević-Vasilev, Dubravka, Zarić, Snežana D., "Can Coordinated Water Be a Good Hydrogen Bond Acceptor?" in The van der Waals – London Discussions, Strasbourg, France, Book of Abstracts, 2023. (2023),
https://hdl.handle.net/21.15107/rcub_cherry_6368 .

TY  - CONF
AU  - Milovanović, Milan R.
AU  - Živković, Jelena M.
AU  - Ninković, Dragan
AU  - Blagojević Filipović, Jelena P.
AU  - Vojislavljević-Vasilev, Dubravka
AU  - Veljković, Ivana S.
AU  - Stanković, Ivana M.
AU  - Malenov, Dušan P.
AU  - Medaković, Vesna
AU  - Veljković, Dušan Ž.
AU  - Zarić, Snežana D.
PY  - 2021
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/5275
UR  - https://iucr25.org/
AB  - In the recent review it was point out that the crystal structures in the Cambridge Structural Database (CSD), collected, have contribute
to various fields of chemical research such as geometries of molecules, noncovalent interactions of molecules, and large assemblies of
molecules. The CSD also contributed to the study and the design of biologically active molecules and the study of gas storage and
delivery [1].
In our group we use analysis of the crystal structures in the CSD to recognize and characterize new types of noncovalent interactions
and to study already known noncovalent interactions. Based on the data from the CSD we can determine existence of the interactions,
frequency of the interactions, and preferred geometries of the interactions in the crystal structures. In addition, we perform quantum
chemical calculations to evaluate the energies of the interactions. Based on the calculated potential energy surfaces for the
interactions, we can determine the most stable geometries, as well as stability of various geometries. We also can determine the
interaction energies for the preferred geometries in the crystal structures. In the cases where the most preferred geometries in the
crystal structures are not the most stable geometries at the potential energy surface, one can find significant influence of the
supramolecular structures in the crystals.
Using this methodology our group recognized stacking interactions of planar metal-chelate rings; stacking interactions with organic
aromatic rings and stacking interactions between two chelate rings. The calculated energies indicate strong stacking interactions of
metal-chelate rings; the stacking of metal-chelate rings is stronger than stacking between two benzene molecules [2]. The data indicate
influence of the metal and ligand type in the metal chelate ring on the strength of the interactions. Our results also indicate strong
stacking interactions of coordinated aromatic rings [3]. Studies of interactions of coordinated water indicate stronger hydrogen bonds
and stronger OH/π interactions of coordinated in comparison to noncoordianted water molecule [4,5]. The calculations on OH/M
interactions between metal ion in square-planar complexes and water molecule indicate that these interactions are among the strongest
hydrogen bonds in any molecular system [6].
The studies on stacking interactions of benzene molecules in the crystal structures in the CSD show preference for interactions at large
horizontal displacements, while high level quantum chemical calculations indicate significantly strong interactions at large offsets; the
energy is 70% of the strongest stacking geometry [7].
PB  - Wiley
C3  - 25th Congress and General Assembly of the International Union of Crystallography, Prague, Czech Republic, August 2021
T1  - Study of noncovalent interactions using crystal structure data in the Cambridge Structural Database
VL  - A77
SP  - C192
UR  - https://hdl.handle.net/21.15107/rcub_cherry_5275
ER  - 

@conference{
author = "Milovanović, Milan R. and Živković, Jelena M. and Ninković, Dragan and Blagojević Filipović, Jelena P. and Vojislavljević-Vasilev, Dubravka and Veljković, Ivana S. and Stanković, Ivana M. and Malenov, Dušan P. and Medaković, Vesna and Veljković, Dušan Ž. and Zarić, Snežana D.",
year = "2021",
abstract = "In the recent review it was point out that the crystal structures in the Cambridge Structural Database (CSD), collected, have contribute
to various fields of chemical research such as geometries of molecules, noncovalent interactions of molecules, and large assemblies of
molecules. The CSD also contributed to the study and the design of biologically active molecules and the study of gas storage and
delivery [1].
In our group we use analysis of the crystal structures in the CSD to recognize and characterize new types of noncovalent interactions
and to study already known noncovalent interactions. Based on the data from the CSD we can determine existence of the interactions,
frequency of the interactions, and preferred geometries of the interactions in the crystal structures. In addition, we perform quantum
chemical calculations to evaluate the energies of the interactions. Based on the calculated potential energy surfaces for the
interactions, we can determine the most stable geometries, as well as stability of various geometries. We also can determine the
interaction energies for the preferred geometries in the crystal structures. In the cases where the most preferred geometries in the
crystal structures are not the most stable geometries at the potential energy surface, one can find significant influence of the
supramolecular structures in the crystals.
Using this methodology our group recognized stacking interactions of planar metal-chelate rings; stacking interactions with organic
aromatic rings and stacking interactions between two chelate rings. The calculated energies indicate strong stacking interactions of
metal-chelate rings; the stacking of metal-chelate rings is stronger than stacking between two benzene molecules [2]. The data indicate
influence of the metal and ligand type in the metal chelate ring on the strength of the interactions. Our results also indicate strong
stacking interactions of coordinated aromatic rings [3]. Studies of interactions of coordinated water indicate stronger hydrogen bonds
and stronger OH/π interactions of coordinated in comparison to noncoordianted water molecule [4,5]. The calculations on OH/M
interactions between metal ion in square-planar complexes and water molecule indicate that these interactions are among the strongest
hydrogen bonds in any molecular system [6].
The studies on stacking interactions of benzene molecules in the crystal structures in the CSD show preference for interactions at large
horizontal displacements, while high level quantum chemical calculations indicate significantly strong interactions at large offsets; the
energy is 70% of the strongest stacking geometry [7].",
publisher = "Wiley",
journal = "25th Congress and General Assembly of the International Union of Crystallography, Prague, Czech Republic, August 2021",
title = "Study of noncovalent interactions using crystal structure data in the Cambridge Structural Database",
volume = "A77",
pages = "C192",
url = "https://hdl.handle.net/21.15107/rcub_cherry_5275"
}

Milovanović, M. R., Živković, J. M., Ninković, D., Blagojević Filipović, J. P., Vojislavljević-Vasilev, D., Veljković, I. S., Stanković, I. M., Malenov, D. P., Medaković, V., Veljković, D. Ž.,& Zarić, S. D.. (2021). Study of noncovalent interactions using crystal structure data in the Cambridge Structural Database. in 25th Congress and General Assembly of the International Union of Crystallography, Prague, Czech Republic, August 2021
Wiley., A77, C192.
https://hdl.handle.net/21.15107/rcub_cherry_5275

Milovanović MR, Živković JM, Ninković D, Blagojević Filipović JP, Vojislavljević-Vasilev D, Veljković IS, Stanković IM, Malenov DP, Medaković V, Veljković DŽ, Zarić SD. Study of noncovalent interactions using crystal structure data in the Cambridge Structural Database. in 25th Congress and General Assembly of the International Union of Crystallography, Prague, Czech Republic, August 2021. 2021;A77:C192.
https://hdl.handle.net/21.15107/rcub_cherry_5275 .

Milovanović, Milan R., Živković, Jelena M., Ninković, Dragan, Blagojević Filipović, Jelena P., Vojislavljević-Vasilev, Dubravka, Veljković, Ivana S., Stanković, Ivana M., Malenov, Dušan P., Medaković, Vesna, Veljković, Dušan Ž., Zarić, Snežana D., "Study of noncovalent interactions using crystal structure data in the Cambridge Structural Database" in 25th Congress and General Assembly of the International Union of Crystallography, Prague, Czech Republic, August 2021, A77 (2021):C192,
https://hdl.handle.net/21.15107/rcub_cherry_5275 .

TY  - CONF
AU  - Milovanović, Milan R.
AU  - Živković, Jelena M.
AU  - Ninković, Dragan
AU  - Blagojević Filipović, Jelena P.
AU  - Vojislavljević-Vasilev, Dubravka
AU  - Veljković, Ivana S.
AU  - Stanković, Ivana M.
AU  - Malenov, Dušan P.
AU  - Medaković, Vesna
AU  - Veljković, Dušan Ž.
AU  - Zarić, Snežana D.
PY  - 2021
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/5274
AB  - The analysis of the crystal structures in the CSD was used to recognize and characterize new types of noncovalent interactions. It was also used to study already known noncovalent interactions. Based on the data from the CSD we can determine existence of the interactions, frequency of the interactions, and preferred geometries of the interactions in the crystal structures [1,2].
The quantum chemical calculations were performed to evaluate the energies of the interactions. For the preferred geometries in the crystal structures we can calculate the interaction energies. By calculating potential energy surfaces for the interactions, we can determine the most stable geometries, as well as stability of various geometries [1,2].
Using this methodology our group recognized stacking interactions of planar metal-chelate rings; stacking interactions with organic aromatic rings, and stacking interactions between two chelate rings. The calculated energies showed that the stacking of metal-chelate rings is stronger than stacking between two benzene molecules. Studies of interactions of coordinated ligands indicate stronger noncovalent interactions that interactions of noncoordinated molecules [2].

REFERENCES
[1] Ninković, D. B., Blagojević Filipović, J. P., Hall, M. B., Brothers, E. N., Zarić, S. D. (2020) ACS Central Science, 6, 420.
[2] Malenov, D. P., Zarić, S. D. (2020) Cood. Chem. Rev. 419, 213338.
PB  - Society of Physical Chemists of Serbia
C3  - 15th International Conference on Fundamental and Applied Aspects of Physical Chemistry, Book of Abstracts
T1  - Study of noncovalent interactions using crystal strucutre data and quantum chemical calculations
UR  - https://hdl.handle.net/21.15107/rcub_cherry_5274
ER  - 

@conference{
author = "Milovanović, Milan R. and Živković, Jelena M. and Ninković, Dragan and Blagojević Filipović, Jelena P. and Vojislavljević-Vasilev, Dubravka and Veljković, Ivana S. and Stanković, Ivana M. and Malenov, Dušan P. and Medaković, Vesna and Veljković, Dušan Ž. and Zarić, Snežana D.",
year = "2021",
abstract = "The analysis of the crystal structures in the CSD was used to recognize and characterize new types of noncovalent interactions. It was also used to study already known noncovalent interactions. Based on the data from the CSD we can determine existence of the interactions, frequency of the interactions, and preferred geometries of the interactions in the crystal structures [1,2].
The quantum chemical calculations were performed to evaluate the energies of the interactions. For the preferred geometries in the crystal structures we can calculate the interaction energies. By calculating potential energy surfaces for the interactions, we can determine the most stable geometries, as well as stability of various geometries [1,2].
Using this methodology our group recognized stacking interactions of planar metal-chelate rings; stacking interactions with organic aromatic rings, and stacking interactions between two chelate rings. The calculated energies showed that the stacking of metal-chelate rings is stronger than stacking between two benzene molecules. Studies of interactions of coordinated ligands indicate stronger noncovalent interactions that interactions of noncoordinated molecules [2].

REFERENCES
[1] Ninković, D. B., Blagojević Filipović, J. P., Hall, M. B., Brothers, E. N., Zarić, S. D. (2020) ACS Central Science, 6, 420.
[2] Malenov, D. P., Zarić, S. D. (2020) Cood. Chem. Rev. 419, 213338.",
publisher = "Society of Physical Chemists of Serbia",
journal = "15th International Conference on Fundamental and Applied Aspects of Physical Chemistry, Book of Abstracts",
title = "Study of noncovalent interactions using crystal strucutre data and quantum chemical calculations",
url = "https://hdl.handle.net/21.15107/rcub_cherry_5274"
}

Milovanović, M. R., Živković, J. M., Ninković, D., Blagojević Filipović, J. P., Vojislavljević-Vasilev, D., Veljković, I. S., Stanković, I. M., Malenov, D. P., Medaković, V., Veljković, D. Ž.,& Zarić, S. D.. (2021). Study of noncovalent interactions using crystal strucutre data and quantum chemical calculations. in 15th International Conference on Fundamental and Applied Aspects of Physical Chemistry, Book of Abstracts
Society of Physical Chemists of Serbia..
https://hdl.handle.net/21.15107/rcub_cherry_5274

Milovanović MR, Živković JM, Ninković D, Blagojević Filipović JP, Vojislavljević-Vasilev D, Veljković IS, Stanković IM, Malenov DP, Medaković V, Veljković DŽ, Zarić SD. Study of noncovalent interactions using crystal strucutre data and quantum chemical calculations. in 15th International Conference on Fundamental and Applied Aspects of Physical Chemistry, Book of Abstracts. 2021;.
https://hdl.handle.net/21.15107/rcub_cherry_5274 .

Milovanović, Milan R., Živković, Jelena M., Ninković, Dragan, Blagojević Filipović, Jelena P., Vojislavljević-Vasilev, Dubravka, Veljković, Ivana S., Stanković, Ivana M., Malenov, Dušan P., Medaković, Vesna, Veljković, Dušan Ž., Zarić, Snežana D., "Study of noncovalent interactions using crystal strucutre data and quantum chemical calculations" in 15th International Conference on Fundamental and Applied Aspects of Physical Chemistry, Book of Abstracts (2021),
https://hdl.handle.net/21.15107/rcub_cherry_5274 .

TY  - CONF
AU  - Milovanović, Milan R.
AU  - Živković, Jelena M.
AU  - Ninković, Dragan
AU  - Blagojević Filipović, Jelena P.
AU  - Vojislavljević-Vasilev, Dubravka
AU  - Veljković, Ivana S.
AU  - Stanković, Ivana M.
AU  - Malenov, Dušan P.
AU  - Medaković, Vesna
AU  - Veljković, Dušan Ž.
AU  - Zarić, Snežana D.
PY  - 2021
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/5354
AB  - The analysis of the crystal structures in the CSD was used to recognize and characterize new types of noncovalent interactions. It was also used to study already known noncovalent interactions. Based on the data from the CSD we can determine existence of the interactions, frequency of the interactions, and preferred geometries of the interactions in the crystal structures [1,2].
The quantum chemical calculations were performed to evaluate the energies of the interactions.
For the preferred geometries in the crystal structures we can calculate the interaction energies. By
calculating potential energy surfaces for the interactions, we can determine the most stable
geometries, as well as stability of various geometries [1,2].
Using this methodology our group recognized stacking interactions of planar metal-chelate rings;
stacking interactions with organic aromatic rings, and stacking interactions between two chelate rings.
The calculated energies showed that the stacking of metal-chelate rings is stronger than stacking
between two benzene molecules. Studies of interactions of coordinated ligands indicate stronger
noncovalent interactions that interactions of noncoordinated molecules [2].
PB  - Society of Physical Chemists of Serbia
C3  - 15th International Conference on Fundamental and Applied Aspects of Physical Chemistry, PC2021, 22-22
T1  - Study of noncovalent interactions using crystal strucutre data and quantum chemical calculations
SP  - 22
EP  - 22
UR  - https://hdl.handle.net/21.15107/rcub_cherry_5354
ER  - 

@conference{
author = "Milovanović, Milan R. and Živković, Jelena M. and Ninković, Dragan and Blagojević Filipović, Jelena P. and Vojislavljević-Vasilev, Dubravka and Veljković, Ivana S. and Stanković, Ivana M. and Malenov, Dušan P. and Medaković, Vesna and Veljković, Dušan Ž. and Zarić, Snežana D.",
year = "2021",
abstract = "The analysis of the crystal structures in the CSD was used to recognize and characterize new types of noncovalent interactions. It was also used to study already known noncovalent interactions. Based on the data from the CSD we can determine existence of the interactions, frequency of the interactions, and preferred geometries of the interactions in the crystal structures [1,2].
The quantum chemical calculations were performed to evaluate the energies of the interactions.
For the preferred geometries in the crystal structures we can calculate the interaction energies. By
calculating potential energy surfaces for the interactions, we can determine the most stable
geometries, as well as stability of various geometries [1,2].
Using this methodology our group recognized stacking interactions of planar metal-chelate rings;
stacking interactions with organic aromatic rings, and stacking interactions between two chelate rings.
The calculated energies showed that the stacking of metal-chelate rings is stronger than stacking
between two benzene molecules. Studies of interactions of coordinated ligands indicate stronger
noncovalent interactions that interactions of noncoordinated molecules [2].",
publisher = "Society of Physical Chemists of Serbia",
journal = "15th International Conference on Fundamental and Applied Aspects of Physical Chemistry, PC2021, 22-22",
title = "Study of noncovalent interactions using crystal strucutre data and quantum chemical calculations",
pages = "22-22",
url = "https://hdl.handle.net/21.15107/rcub_cherry_5354"
}

Milovanović, M. R., Živković, J. M., Ninković, D., Blagojević Filipović, J. P., Vojislavljević-Vasilev, D., Veljković, I. S., Stanković, I. M., Malenov, D. P., Medaković, V., Veljković, D. Ž.,& Zarić, S. D.. (2021). Study of noncovalent interactions using crystal strucutre data and quantum chemical calculations. in 15th International Conference on Fundamental and Applied Aspects of Physical Chemistry, PC2021, 22-22
Society of Physical Chemists of Serbia., 22-22.
https://hdl.handle.net/21.15107/rcub_cherry_5354

Milovanović MR, Živković JM, Ninković D, Blagojević Filipović JP, Vojislavljević-Vasilev D, Veljković IS, Stanković IM, Malenov DP, Medaković V, Veljković DŽ, Zarić SD. Study of noncovalent interactions using crystal strucutre data and quantum chemical calculations. in 15th International Conference on Fundamental and Applied Aspects of Physical Chemistry, PC2021, 22-22. 2021;:22-22.
https://hdl.handle.net/21.15107/rcub_cherry_5354 .

Milovanović, Milan R., Živković, Jelena M., Ninković, Dragan, Blagojević Filipović, Jelena P., Vojislavljević-Vasilev, Dubravka, Veljković, Ivana S., Stanković, Ivana M., Malenov, Dušan P., Medaković, Vesna, Veljković, Dušan Ž., Zarić, Snežana D., "Study of noncovalent interactions using crystal strucutre data and quantum chemical calculations" in 15th International Conference on Fundamental and Applied Aspects of Physical Chemistry, PC2021, 22-22 (2021):22-22,
https://hdl.handle.net/21.15107/rcub_cherry_5354 .

TY  - CONF
AU  - Veljković, Dušan Ž.
AU  - Kretić, Danijela S.
AU  - Vojislavljević-Vasilev, Dubravka
AU  - Zarić, Snežana D.
PY  - 2021
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/5353
AB  - Geometries and energies of Pt...H interactions were studied using analysis of crystallographic data
and quantum chemical calculations. Cambridge Structural Database (CSD) was searched for all
crystal structures containing X-Pt...H-OH interactions. Analysis of geometrical parameters in crystal
structures showed that in majority of crystal structures X-Pt...H interactions do not have tendency for linear arrangement. Based on the results of analysis of geometrical parameters, model systems for quantum chemical calculations were made. Results of quantum chemical calculations showed that in case of linear X-Pt...H arrangement (angle X-Pt-H = 180°) between PtS molecule and water calculated intermolecular interactions are repulsive, while in case of X-Pt...H interaction with the X-Pt-H angle value of 90° the interaction is attractive (ΔE = -2.42 kcal/mol). These results of quantum chemical calculations are in good agreement with the results of the analysis of crystallographic data.
PB  - Society of Physical Chemists of Serbia
C3  - 15th International Conference on Fundamental and Applied Aspects of Physical Chemistry, PC2021
T1  - Theoretical study of geometries and energies of the Pt...H interactions
SP  - 118
EP  - 118
UR  - https://hdl.handle.net/21.15107/rcub_cherry_5353
ER  - 

@conference{
author = "Veljković, Dušan Ž. and Kretić, Danijela S. and Vojislavljević-Vasilev, Dubravka and Zarić, Snežana D.",
year = "2021",
abstract = "Geometries and energies of Pt...H interactions were studied using analysis of crystallographic data
and quantum chemical calculations. Cambridge Structural Database (CSD) was searched for all
crystal structures containing X-Pt...H-OH interactions. Analysis of geometrical parameters in crystal
structures showed that in majority of crystal structures X-Pt...H interactions do not have tendency for linear arrangement. Based on the results of analysis of geometrical parameters, model systems for quantum chemical calculations were made. Results of quantum chemical calculations showed that in case of linear X-Pt...H arrangement (angle X-Pt-H = 180°) between PtS molecule and water calculated intermolecular interactions are repulsive, while in case of X-Pt...H interaction with the X-Pt-H angle value of 90° the interaction is attractive (ΔE = -2.42 kcal/mol). These results of quantum chemical calculations are in good agreement with the results of the analysis of crystallographic data.",
publisher = "Society of Physical Chemists of Serbia",
journal = "15th International Conference on Fundamental and Applied Aspects of Physical Chemistry, PC2021",
title = "Theoretical study of geometries and energies of the Pt...H interactions",
pages = "118-118",
url = "https://hdl.handle.net/21.15107/rcub_cherry_5353"
}

Veljković, D. Ž., Kretić, D. S., Vojislavljević-Vasilev, D.,& Zarić, S. D.. (2021). Theoretical study of geometries and energies of the Pt...H interactions. in 15th International Conference on Fundamental and Applied Aspects of Physical Chemistry, PC2021
Society of Physical Chemists of Serbia., 118-118.
https://hdl.handle.net/21.15107/rcub_cherry_5353

Veljković DŽ, Kretić DS, Vojislavljević-Vasilev D, Zarić SD. Theoretical study of geometries and energies of the Pt...H interactions. in 15th International Conference on Fundamental and Applied Aspects of Physical Chemistry, PC2021. 2021;:118-118.
https://hdl.handle.net/21.15107/rcub_cherry_5353 .

Veljković, Dušan Ž., Kretić, Danijela S., Vojislavljević-Vasilev, Dubravka, Zarić, Snežana D., "Theoretical study of geometries and energies of the Pt...H interactions" in 15th International Conference on Fundamental and Applied Aspects of Physical Chemistry, PC2021 (2021):118-118,
https://hdl.handle.net/21.15107/rcub_cherry_5353 .

TY  - CONF
AU  - Ninković, Dragan
AU  - Veljković, Dušan Ž.
AU  - Malenov, Dušan P.
AU  - Milovanović, Milan R.
AU  - Živković, Jelena M.
AU  - Stanković, Ivana M.
AU  - Veljković, Ivana S.
AU  - Medaković, Vesna
AU  - Blagojević Filipović, Jelena P.
AU  - Vojislavljević-Vasilev, Dubravka
AU  - Zarić, Snežana D.
PY  - 2019
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/5266
AB  - Наше истраживање се заснива на анализи података у кристалним структурама
из Кембичке базе структурних података (CSD) и на квантнo хемијским
прорачунима. Анализа података из CSD-а омогућава да се препознају интеракције у
кристалним структурама и да се опишу геометрије ових интеракција, док помоћу
квантно-хемијских прорачуна можемо проценити интеракционе енергије и пронаћи
најстабилније геометрије интеракција. Користећи ову методологију успели смо да
препознамо и опишемо неколико нових типова интеракција.
Наше проучавање интеракција планарних метал-хелатних прстенова показало је
могућност стекинг интеракција са органским ароматичним прстеновима и
интеракције између два хелатна прстена. Израчунате енергије указују на јаке
стекинг интеракције метал-хелатних прстенова; стекинг метал-хелатних прстенова
је јачи од стекинга између два молекула бензена. Испитивања интеракција
координираних молекула воде и амонијака указују на јаче водоничне везе и јаче
ОH/π и NH/π интеракције координираних у односу на некоординоване молекуле
воде и амонијака. Прорачуни ОH/М интеракција између металног јона у квадратнo
планарним комплексима и молекулa воде указују да су ове интеракције међу
најјачим водоничним везама у било ком молекулском систему.
Студије о ароматичним молекулима указују на стекинг интеракције са великим
хоризонталним померањима између два ароматична молекула са значајно јаким
интеракцијама, енергија је 70% најјаче стекинг интеракције. Наши подаци такође
указују на то да су интеракције алифатичних прстенова са ароматичним прстеном
јаче од интеракција између два ароматична молекула, док су
алифатично/ароматичне интеракције веома честе у протеинским структурама.
AB  - Our research is based on analyzing data in crystal structures from the Cambridge
Structural Database (CSD) and on quantum chemical calculations. The analysis of the
data from the CSD enable to recognize interactions in crystal structures and to describe
the geometries of these interactions, while by quantum chemical calculations we can
evaluate interaction energies and find the most stable interaction geometries. Using this
methodology we were able to recognize and describe several new types of noncovalent
interactions.
Our study of planar metal-chelate rings interactions showed possibility of chelate ring
stacking interactions with organic aromatic rings, and stacking interactions between two
chelate rings. The calculated energies indicate strong stacking interactions of metalchelate rings; the stacking of metal-chelate rings is stronger than stacking between two
benzene molecules. Studies of interactions of coordinated water and ammonia indicate
stronger hydrogen bonds and stronger OH/π and NH/π interactions of coordinated in
comparison to noncoordianted water and ammonia. The calculations on OH/M interactions between metal ion in square-planar complexes and water molecule indicate that
these interactions are among the strongest hydrogen bonds in any molecular system.
The studies on aromatic molecules indicate stacking interactions at large horizontal
dispacements between two aromatic molecules with significantly strong interacitons, the
energy is 70% of the strongest stacking geometry. Our data also indicate that stacking
interactions of an aliphatic rings with an aromatic ring are stonger than interactions between two aromatic molecules, while aliphatic/aromatic interactions are very frequent in
protein structures.
PB  - Српско кристалографско друштво
C3  - XXVI Конференција Српског кристалографског друштва, Књига апстраката
T1  - Нековалентне интеракције комплекса метала и ароматичних молекула
T1  - Noncovalent interactions of metal complexes and aromatic molecules
UR  - https://hdl.handle.net/21.15107/rcub_cherry_5266
ER  - 

@conference{
author = "Ninković, Dragan and Veljković, Dušan Ž. and Malenov, Dušan P. and Milovanović, Milan R. and Živković, Jelena M. and Stanković, Ivana M. and Veljković, Ivana S. and Medaković, Vesna and Blagojević Filipović, Jelena P. and Vojislavljević-Vasilev, Dubravka and Zarić, Snežana D.",
year = "2019",
abstract = "Наше истраживање се заснива на анализи података у кристалним структурама
из Кембичке базе структурних података (CSD) и на квантнo хемијским
прорачунима. Анализа података из CSD-а омогућава да се препознају интеракције у
кристалним структурама и да се опишу геометрије ових интеракција, док помоћу
квантно-хемијских прорачуна можемо проценити интеракционе енергије и пронаћи
најстабилније геометрије интеракција. Користећи ову методологију успели смо да
препознамо и опишемо неколико нових типова интеракција.
Наше проучавање интеракција планарних метал-хелатних прстенова показало је
могућност стекинг интеракција са органским ароматичним прстеновима и
интеракције између два хелатна прстена. Израчунате енергије указују на јаке
стекинг интеракције метал-хелатних прстенова; стекинг метал-хелатних прстенова
је јачи од стекинга између два молекула бензена. Испитивања интеракција
координираних молекула воде и амонијака указују на јаче водоничне везе и јаче
ОH/π и NH/π интеракције координираних у односу на некоординоване молекуле
воде и амонијака. Прорачуни ОH/М интеракција између металног јона у квадратнo
планарним комплексима и молекулa воде указују да су ове интеракције међу
најјачим водоничним везама у било ком молекулском систему.
Студије о ароматичним молекулима указују на стекинг интеракције са великим
хоризонталним померањима између два ароматична молекула са значајно јаким
интеракцијама, енергија је 70% најјаче стекинг интеракције. Наши подаци такође
указују на то да су интеракције алифатичних прстенова са ароматичним прстеном
јаче од интеракција између два ароматична молекула, док су
алифатично/ароматичне интеракције веома честе у протеинским структурама., Our research is based on analyzing data in crystal structures from the Cambridge
Structural Database (CSD) and on quantum chemical calculations. The analysis of the
data from the CSD enable to recognize interactions in crystal structures and to describe
the geometries of these interactions, while by quantum chemical calculations we can
evaluate interaction energies and find the most stable interaction geometries. Using this
methodology we were able to recognize and describe several new types of noncovalent
interactions.
Our study of planar metal-chelate rings interactions showed possibility of chelate ring
stacking interactions with organic aromatic rings, and stacking interactions between two
chelate rings. The calculated energies indicate strong stacking interactions of metalchelate rings; the stacking of metal-chelate rings is stronger than stacking between two
benzene molecules. Studies of interactions of coordinated water and ammonia indicate
stronger hydrogen bonds and stronger OH/π and NH/π interactions of coordinated in
comparison to noncoordianted water and ammonia. The calculations on OH/M interactions between metal ion in square-planar complexes and water molecule indicate that
these interactions are among the strongest hydrogen bonds in any molecular system.
The studies on aromatic molecules indicate stacking interactions at large horizontal
dispacements between two aromatic molecules with significantly strong interacitons, the
energy is 70% of the strongest stacking geometry. Our data also indicate that stacking
interactions of an aliphatic rings with an aromatic ring are stonger than interactions between two aromatic molecules, while aliphatic/aromatic interactions are very frequent in
protein structures.",
publisher = "Српско кристалографско друштво",
journal = "XXVI Конференција Српског кристалографског друштва, Књига апстраката",
title = "Нековалентне интеракције комплекса метала и ароматичних молекула, Noncovalent interactions of metal complexes and aromatic molecules",
url = "https://hdl.handle.net/21.15107/rcub_cherry_5266"
}

Ninković, D., Veljković, D. Ž., Malenov, D. P., Milovanović, M. R., Živković, J. M., Stanković, I. M., Veljković, I. S., Medaković, V., Blagojević Filipović, J. P., Vojislavljević-Vasilev, D.,& Zarić, S. D.. (2019). Нековалентне интеракције комплекса метала и ароматичних молекула. in XXVI Конференција Српског кристалографског друштва, Књига апстраката
Српско кристалографско друштво..
https://hdl.handle.net/21.15107/rcub_cherry_5266

Ninković D, Veljković DŽ, Malenov DP, Milovanović MR, Živković JM, Stanković IM, Veljković IS, Medaković V, Blagojević Filipović JP, Vojislavljević-Vasilev D, Zarić SD. Нековалентне интеракције комплекса метала и ароматичних молекула. in XXVI Конференција Српског кристалографског друштва, Књига апстраката. 2019;.
https://hdl.handle.net/21.15107/rcub_cherry_5266 .

Ninković, Dragan, Veljković, Dušan Ž., Malenov, Dušan P., Milovanović, Milan R., Živković, Jelena M., Stanković, Ivana M., Veljković, Ivana S., Medaković, Vesna, Blagojević Filipović, Jelena P., Vojislavljević-Vasilev, Dubravka, Zarić, Snežana D., "Нековалентне интеракције комплекса метала и ароматичних молекула" in XXVI Конференција Српског кристалографског друштва, Књига апстраката (2019),
https://hdl.handle.net/21.15107/rcub_cherry_5266 .

TY  - CONF
AU  - Ninković, Dragan
AU  - Malenov, Dušan P.
AU  - Veljković, Dušan Ž.
AU  - Andrić, Jelena M.
AU  - Vojislavljević-Vasilev, Dubravka
AU  - Veljković, Ivana S.
AU  - Zarić, Snežana D.
PY  - 2019
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/5378
AB  - We studied noncovalent interactions of metal complexes and described several new 
types of these interactions. Our studies are based on analyzing data in crystal structures 
from the Cambridge Structural Database (CSD) and on quantum chemical calculations. 
The analysis of the data from the CSD enable to recognize interactions in crystal 
structures and to describe the geometries of these interactions, while by quantum 
chemical calculations we can evaluate interaction energies and find the most stable 
interaction geometries.
Our study of planar metal-chelate rings interactions, based on data in the CSD, showed 
possibility of chelate ring stacking interactions with organic aromatic rings, and 
stacking interactions between two chelate rings in crystal structures. The quantum 
chemical calculations indicate strong stacking interactions of metal-chelate rings; the 
stacking of metal- chelate rings is stronger than stacking between two benzene 
molecules.
Studies of interactions of coordinated water and ammonia indicate stronger hydrogen 
bonds and stronger OH/π and NH/π interactions of coordinated in comparison to 
noncoordianted water and ammonia. Namely in the crystal structures the interaction 
distances are shorter, while the calculations show larger interactions energies.
The calculations on OH/M interactions between metal ion in square-planar complexes 
and water molecule indicate that these interactions are among the strongest hydrogen 
bonds in any molecular system.
C3  - XVII International Conference on Coordination and Bioinorganic Chemistry, Progressive Trends in Coordination, Bioinorganic, and Applied Inorganic Chemistry, Smolenice, Slovakia, June 2-7, 2019
T1  - Noncovalent interactions of metal complexes
SP  - 122
EP  - 122
UR  - https://hdl.handle.net/21.15107/rcub_cherry_5378
ER  - 

@conference{
author = "Ninković, Dragan and Malenov, Dušan P. and Veljković, Dušan Ž. and Andrić, Jelena M. and Vojislavljević-Vasilev, Dubravka and Veljković, Ivana S. and Zarić, Snežana D.",
year = "2019",
abstract = "We studied noncovalent interactions of metal complexes and described several new 
types of these interactions. Our studies are based on analyzing data in crystal structures 
from the Cambridge Structural Database (CSD) and on quantum chemical calculations. 
The analysis of the data from the CSD enable to recognize interactions in crystal 
structures and to describe the geometries of these interactions, while by quantum 
chemical calculations we can evaluate interaction energies and find the most stable 
interaction geometries.
Our study of planar metal-chelate rings interactions, based on data in the CSD, showed 
possibility of chelate ring stacking interactions with organic aromatic rings, and 
stacking interactions between two chelate rings in crystal structures. The quantum 
chemical calculations indicate strong stacking interactions of metal-chelate rings; the 
stacking of metal- chelate rings is stronger than stacking between two benzene 
molecules.
Studies of interactions of coordinated water and ammonia indicate stronger hydrogen 
bonds and stronger OH/π and NH/π interactions of coordinated in comparison to 
noncoordianted water and ammonia. Namely in the crystal structures the interaction 
distances are shorter, while the calculations show larger interactions energies.
The calculations on OH/M interactions between metal ion in square-planar complexes 
and water molecule indicate that these interactions are among the strongest hydrogen 
bonds in any molecular system.",
journal = "XVII International Conference on Coordination and Bioinorganic Chemistry, Progressive Trends in Coordination, Bioinorganic, and Applied Inorganic Chemistry, Smolenice, Slovakia, June 2-7, 2019",
title = "Noncovalent interactions of metal complexes",
pages = "122-122",
url = "https://hdl.handle.net/21.15107/rcub_cherry_5378"
}

Ninković, D., Malenov, D. P., Veljković, D. Ž., Andrić, J. M., Vojislavljević-Vasilev, D., Veljković, I. S.,& Zarić, S. D.. (2019). Noncovalent interactions of metal complexes. in XVII International Conference on Coordination and Bioinorganic Chemistry, Progressive Trends in Coordination, Bioinorganic, and Applied Inorganic Chemistry, Smolenice, Slovakia, June 2-7, 2019, 122-122.
https://hdl.handle.net/21.15107/rcub_cherry_5378

Ninković D, Malenov DP, Veljković DŽ, Andrić JM, Vojislavljević-Vasilev D, Veljković IS, Zarić SD. Noncovalent interactions of metal complexes. in XVII International Conference on Coordination and Bioinorganic Chemistry, Progressive Trends in Coordination, Bioinorganic, and Applied Inorganic Chemistry, Smolenice, Slovakia, June 2-7, 2019. 2019;:122-122.
https://hdl.handle.net/21.15107/rcub_cherry_5378 .

Ninković, Dragan, Malenov, Dušan P., Veljković, Dušan Ž., Andrić, Jelena M., Vojislavljević-Vasilev, Dubravka, Veljković, Ivana S., Zarić, Snežana D., "Noncovalent interactions of metal complexes" in XVII International Conference on Coordination and Bioinorganic Chemistry, Progressive Trends in Coordination, Bioinorganic, and Applied Inorganic Chemistry, Smolenice, Slovakia, June 2-7, 2019 (2019):122-122,
https://hdl.handle.net/21.15107/rcub_cherry_5378 .

TY  - CONF
AU  - Ninković, D.
AU  - Malenov, Dušan P.
AU  - Veljković, Dušan Ž.
AU  - Andrić, J.
AU  - Vojislavljević-Vasilev, Dubravka
AU  - Veljković, Ivana S.
AU  - Zarić, Snežana D.
PY  - 2019
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/5359
C3  - XXVII International Conference on Coordination and Bioinorganic Chemistry, Book of Abstracts, Smolenice, Slovakia, June 2-7, 2019
T1  - Noncovalent interactions of metal complexes
SP  - 122
EP  - 122
UR  - https://hdl.handle.net/21.15107/rcub_cherry_5359
ER  - 

@conference{
author = "Ninković, D. and Malenov, Dušan P. and Veljković, Dušan Ž. and Andrić, J. and Vojislavljević-Vasilev, Dubravka and Veljković, Ivana S. and Zarić, Snežana D.",
year = "2019",
journal = "XXVII International Conference on Coordination and Bioinorganic Chemistry, Book of Abstracts, Smolenice, Slovakia, June 2-7, 2019",
title = "Noncovalent interactions of metal complexes",
pages = "122-122",
url = "https://hdl.handle.net/21.15107/rcub_cherry_5359"
}

Ninković, D., Malenov, D. P., Veljković, D. Ž., Andrić, J., Vojislavljević-Vasilev, D., Veljković, I. S.,& Zarić, S. D.. (2019). Noncovalent interactions of metal complexes. in XXVII International Conference on Coordination and Bioinorganic Chemistry, Book of Abstracts, Smolenice, Slovakia, June 2-7, 2019, 122-122.
https://hdl.handle.net/21.15107/rcub_cherry_5359

Ninković D, Malenov DP, Veljković DŽ, Andrić J, Vojislavljević-Vasilev D, Veljković IS, Zarić SD. Noncovalent interactions of metal complexes. in XXVII International Conference on Coordination and Bioinorganic Chemistry, Book of Abstracts, Smolenice, Slovakia, June 2-7, 2019. 2019;:122-122.
https://hdl.handle.net/21.15107/rcub_cherry_5359 .

Ninković, D., Malenov, Dušan P., Veljković, Dušan Ž., Andrić, J., Vojislavljević-Vasilev, Dubravka, Veljković, Ivana S., Zarić, Snežana D., "Noncovalent interactions of metal complexes" in XXVII International Conference on Coordination and Bioinorganic Chemistry, Book of Abstracts, Smolenice, Slovakia, June 2-7, 2019 (2019):122-122,
https://hdl.handle.net/21.15107/rcub_cherry_5359 .

TY  - JOUR
AU  - Ninković, Dragan
AU  - Vojislavljević-Vasilev, Dubravka
AU  - Medaković, Vesna
AU  - Hall, Michael B.
AU  - Brothers, E. N.
AU  - Zarić, Snežana D.
PY  - 2016
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/2328
AB  - Stacking interactions between cyclohexane and benzene were studied in crystal structures from the Cambridge Structural Database and by ab initio calculations. Calculated at the very accurate CCSD(T)/CBS level of theory, the cyclohexane-benzene interaction energy is -3.27 kcal mol(-1), which is significantly stronger than the interaction in the benzene dimer (-2.84 kcal mol(-1)) indicating the importance of aliphatic-aromatic interactions.
PB  - Royal Soc Chemistry, Cambridge
T2  - Physical Chemistry Chemical Physics
T1  - Aliphatic-aromatic stacking interactions in cyclohexane-benzene are stronger than aromatic-aromatic interaction in the benzene dimer
VL  - 18
IS  - 37
SP  - 25791
EP  - 25795
DO  - 10.1039/c6cp03734h
ER  - 

@article{
author = "Ninković, Dragan and Vojislavljević-Vasilev, Dubravka and Medaković, Vesna and Hall, Michael B. and Brothers, E. N. and Zarić, Snežana D.",
year = "2016",
abstract = "Stacking interactions between cyclohexane and benzene were studied in crystal structures from the Cambridge Structural Database and by ab initio calculations. Calculated at the very accurate CCSD(T)/CBS level of theory, the cyclohexane-benzene interaction energy is -3.27 kcal mol(-1), which is significantly stronger than the interaction in the benzene dimer (-2.84 kcal mol(-1)) indicating the importance of aliphatic-aromatic interactions.",
publisher = "Royal Soc Chemistry, Cambridge",
journal = "Physical Chemistry Chemical Physics",
title = "Aliphatic-aromatic stacking interactions in cyclohexane-benzene are stronger than aromatic-aromatic interaction in the benzene dimer",
volume = "18",
number = "37",
pages = "25791-25795",
doi = "10.1039/c6cp03734h"
}

Ninković, D., Vojislavljević-Vasilev, D., Medaković, V., Hall, M. B., Brothers, E. N.,& Zarić, S. D.. (2016). Aliphatic-aromatic stacking interactions in cyclohexane-benzene are stronger than aromatic-aromatic interaction in the benzene dimer. in Physical Chemistry Chemical Physics
Royal Soc Chemistry, Cambridge., 18(37), 25791-25795.
https://doi.org/10.1039/c6cp03734h

Ninković D, Vojislavljević-Vasilev D, Medaković V, Hall MB, Brothers EN, Zarić SD. Aliphatic-aromatic stacking interactions in cyclohexane-benzene are stronger than aromatic-aromatic interaction in the benzene dimer. in Physical Chemistry Chemical Physics. 2016;18(37):25791-25795.
doi:10.1039/c6cp03734h .

Ninković, Dragan, Vojislavljević-Vasilev, Dubravka, Medaković, Vesna, Hall, Michael B., Brothers, E. N., Zarić, Snežana D., "Aliphatic-aromatic stacking interactions in cyclohexane-benzene are stronger than aromatic-aromatic interaction in the benzene dimer" in Physical Chemistry Chemical Physics, 18, no. 37 (2016):25791-25795,
https://doi.org/10.1039/c6cp03734h . .

TY  - JOUR
AU  - Ninković, Dragan
AU  - Vojislavljević-Vasilev, Dubravka
AU  - Medaković, Vesna
AU  - Hall, Michael B.
AU  - Brothers, E. N.
AU  - Zarić, Snežana D.
PY  - 2016
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/3324
AB  - Stacking interactions between cyclohexane and benzene were studied in crystal structures from the Cambridge Structural Database and by ab initio calculations. Calculated at the very accurate CCSD(T)/CBS level of theory, the cyclohexane-benzene interaction energy is -3.27 kcal mol(-1), which is significantly stronger than the interaction in the benzene dimer (-2.84 kcal mol(-1)) indicating the importance of aliphatic-aromatic interactions.
PB  - Royal Soc Chemistry, Cambridge
T2  - Physical Chemistry Chemical Physics
T1  - Aliphatic-aromatic stacking interactions in cyclohexane-benzene are stronger than aromatic-aromatic interaction in the benzene dimer
VL  - 18
IS  - 37
SP  - 25791
EP  - 25795
DO  - 10.1039/c6cp03734h
ER  - 

@article{
author = "Ninković, Dragan and Vojislavljević-Vasilev, Dubravka and Medaković, Vesna and Hall, Michael B. and Brothers, E. N. and Zarić, Snežana D.",
year = "2016",
abstract = "Stacking interactions between cyclohexane and benzene were studied in crystal structures from the Cambridge Structural Database and by ab initio calculations. Calculated at the very accurate CCSD(T)/CBS level of theory, the cyclohexane-benzene interaction energy is -3.27 kcal mol(-1), which is significantly stronger than the interaction in the benzene dimer (-2.84 kcal mol(-1)) indicating the importance of aliphatic-aromatic interactions.",
publisher = "Royal Soc Chemistry, Cambridge",
journal = "Physical Chemistry Chemical Physics",
title = "Aliphatic-aromatic stacking interactions in cyclohexane-benzene are stronger than aromatic-aromatic interaction in the benzene dimer",
volume = "18",
number = "37",
pages = "25791-25795",
doi = "10.1039/c6cp03734h"
}

Ninković, D., Vojislavljević-Vasilev, D., Medaković, V., Hall, M. B., Brothers, E. N.,& Zarić, S. D.. (2016). Aliphatic-aromatic stacking interactions in cyclohexane-benzene are stronger than aromatic-aromatic interaction in the benzene dimer. in Physical Chemistry Chemical Physics
Royal Soc Chemistry, Cambridge., 18(37), 25791-25795.
https://doi.org/10.1039/c6cp03734h

Ninković D, Vojislavljević-Vasilev D, Medaković V, Hall MB, Brothers EN, Zarić SD. Aliphatic-aromatic stacking interactions in cyclohexane-benzene are stronger than aromatic-aromatic interaction in the benzene dimer. in Physical Chemistry Chemical Physics. 2016;18(37):25791-25795.
doi:10.1039/c6cp03734h .

Ninković, Dragan, Vojislavljević-Vasilev, Dubravka, Medaković, Vesna, Hall, Michael B., Brothers, E. N., Zarić, Snežana D., "Aliphatic-aromatic stacking interactions in cyclohexane-benzene are stronger than aromatic-aromatic interaction in the benzene dimer" in Physical Chemistry Chemical Physics, 18, no. 37 (2016):25791-25795,
https://doi.org/10.1039/c6cp03734h . .

TY  - DATA
AU  - Ninković, Dragan
AU  - Vojislavljević-Vasilev, Dubravka
AU  - Medaković, Vesna
AU  - Hall, Michael B.
AU  - Brothers, E. N.
AU  - Zarić, Snežana D.
PY  - 2016
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/3326
PB  - Royal Soc Chemistry, Cambridge
T2  - Physical Chemistry Chemical Physics
T1  - Supplementary data for the article: Ninković, D. B.; Vojislavljević-Vasilev, D. Z.; Medaković, V. B.; Hall, M. B.; Brothers, E. N.; Zarić, S. D. Aliphatic-Aromatic Stacking Interactions in Cyclohexane-Benzene Are Stronger than Aromatic-Aromatic Interaction in the Benzene Dimer. Physical Chemistry Chemical Physics 2016, 18 (37), 25791–25795. https://doi.org/10.1039/c6cp03734h
UR  - https://hdl.handle.net/21.15107/rcub_cherry_3326
ER  - 

@misc{
author = "Ninković, Dragan and Vojislavljević-Vasilev, Dubravka and Medaković, Vesna and Hall, Michael B. and Brothers, E. N. and Zarić, Snežana D.",
year = "2016",
publisher = "Royal Soc Chemistry, Cambridge",
journal = "Physical Chemistry Chemical Physics",
title = "Supplementary data for the article: Ninković, D. B.; Vojislavljević-Vasilev, D. Z.; Medaković, V. B.; Hall, M. B.; Brothers, E. N.; Zarić, S. D. Aliphatic-Aromatic Stacking Interactions in Cyclohexane-Benzene Are Stronger than Aromatic-Aromatic Interaction in the Benzene Dimer. Physical Chemistry Chemical Physics 2016, 18 (37), 25791–25795. https://doi.org/10.1039/c6cp03734h",
url = "https://hdl.handle.net/21.15107/rcub_cherry_3326"
}

Ninković, D., Vojislavljević-Vasilev, D., Medaković, V., Hall, M. B., Brothers, E. N.,& Zarić, S. D.. (2016). Supplementary data for the article: Ninković, D. B.; Vojislavljević-Vasilev, D. Z.; Medaković, V. B.; Hall, M. B.; Brothers, E. N.; Zarić, S. D. Aliphatic-Aromatic Stacking Interactions in Cyclohexane-Benzene Are Stronger than Aromatic-Aromatic Interaction in the Benzene Dimer. Physical Chemistry Chemical Physics 2016, 18 (37), 25791–25795. https://doi.org/10.1039/c6cp03734h. in Physical Chemistry Chemical Physics
Royal Soc Chemistry, Cambridge..
https://hdl.handle.net/21.15107/rcub_cherry_3326

Ninković D, Vojislavljević-Vasilev D, Medaković V, Hall MB, Brothers EN, Zarić SD. Supplementary data for the article: Ninković, D. B.; Vojislavljević-Vasilev, D. Z.; Medaković, V. B.; Hall, M. B.; Brothers, E. N.; Zarić, S. D. Aliphatic-Aromatic Stacking Interactions in Cyclohexane-Benzene Are Stronger than Aromatic-Aromatic Interaction in the Benzene Dimer. Physical Chemistry Chemical Physics 2016, 18 (37), 25791–25795. https://doi.org/10.1039/c6cp03734h. in Physical Chemistry Chemical Physics. 2016;.
https://hdl.handle.net/21.15107/rcub_cherry_3326 .

Ninković, Dragan, Vojislavljević-Vasilev, Dubravka, Medaković, Vesna, Hall, Michael B., Brothers, E. N., Zarić, Snežana D., "Supplementary data for the article: Ninković, D. B.; Vojislavljević-Vasilev, D. Z.; Medaković, V. B.; Hall, M. B.; Brothers, E. N.; Zarić, S. D. Aliphatic-Aromatic Stacking Interactions in Cyclohexane-Benzene Are Stronger than Aromatic-Aromatic Interaction in the Benzene Dimer. Physical Chemistry Chemical Physics 2016, 18 (37), 25791–25795. https://doi.org/10.1039/c6cp03734h" in Physical Chemistry Chemical Physics (2016),
https://hdl.handle.net/21.15107/rcub_cherry_3326 .

TY  - JOUR
AU  - Vojislavljević-Vasilev, Dubravka
AU  - Janjić, Goran V.
AU  - Medaković, Vesna
AU  - Blagojević, Jelena P.
AU  - Zarić, Snežana D.
PY  - 2014
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/1827
AB  - The parallel interactions of non-coordinated and coordinated water molecules with an aromatic ring were studied by analyzing data in the Cambridge structural database (CSD) and by using quantum chemical calculations. The CSD data show that water/aromatic contacts prefer parallel to OH/pi interactions, which indicates the importance of parallel interactions. The results reveal the influence of water coordination to a metal ion; the interactions of aqua complexes are stronger. Coordinated water molecules prefer a parallel-down orientation in which one O-H bond is parallel to the aromatic ring, whereas the other O-H bond points to the plane of the ring. The interactions of aqua complexes with parallel-down water/benzene orientation are as strong as the much better known OH/pi orientations. The strongest calculated interaction energy is -14.89 kcal mol(-1). The large number of parallel contacts in crystal structures and the quite strong interactions indicate the importance of parallel orientation in water/benzene interactions.
PB  - Wiley-V C H Verlag Gmbh, Weinheim
T2  - Chemphyschem
T1  - Parallel Water/Aromatic Interactions of Non-Coordinated and Coordinated Water
VL  - 15
IS  - 11
SP  - 2386
EP  - 2396
DO  - 10.1002/cphc.201402004
ER  - 

@article{
author = "Vojislavljević-Vasilev, Dubravka and Janjić, Goran V. and Medaković, Vesna and Blagojević, Jelena P. and Zarić, Snežana D.",
year = "2014",
abstract = "The parallel interactions of non-coordinated and coordinated water molecules with an aromatic ring were studied by analyzing data in the Cambridge structural database (CSD) and by using quantum chemical calculations. The CSD data show that water/aromatic contacts prefer parallel to OH/pi interactions, which indicates the importance of parallel interactions. The results reveal the influence of water coordination to a metal ion; the interactions of aqua complexes are stronger. Coordinated water molecules prefer a parallel-down orientation in which one O-H bond is parallel to the aromatic ring, whereas the other O-H bond points to the plane of the ring. The interactions of aqua complexes with parallel-down water/benzene orientation are as strong as the much better known OH/pi orientations. The strongest calculated interaction energy is -14.89 kcal mol(-1). The large number of parallel contacts in crystal structures and the quite strong interactions indicate the importance of parallel orientation in water/benzene interactions.",
publisher = "Wiley-V C H Verlag Gmbh, Weinheim",
journal = "Chemphyschem",
title = "Parallel Water/Aromatic Interactions of Non-Coordinated and Coordinated Water",
volume = "15",
number = "11",
pages = "2386-2396",
doi = "10.1002/cphc.201402004"
}

Vojislavljević-Vasilev, D., Janjić, G. V., Medaković, V., Blagojević, J. P.,& Zarić, S. D.. (2014). Parallel Water/Aromatic Interactions of Non-Coordinated and Coordinated Water. in Chemphyschem
Wiley-V C H Verlag Gmbh, Weinheim., 15(11), 2386-2396.
https://doi.org/10.1002/cphc.201402004

Vojislavljević-Vasilev D, Janjić GV, Medaković V, Blagojević JP, Zarić SD. Parallel Water/Aromatic Interactions of Non-Coordinated and Coordinated Water. in Chemphyschem. 2014;15(11):2386-2396.
doi:10.1002/cphc.201402004 .

Vojislavljević-Vasilev, Dubravka, Janjić, Goran V., Medaković, Vesna, Blagojević, Jelena P., Zarić, Snežana D., "Parallel Water/Aromatic Interactions of Non-Coordinated and Coordinated Water" in Chemphyschem, 15, no. 11 (2014):2386-2396,
https://doi.org/10.1002/cphc.201402004 . .

TY  - DATA
AU  - Vojislavljević-Vasilev, Dubravka
AU  - Janjić, Goran V.
AU  - Ninković, Dragan
AU  - Kapor, Agnes
AU  - Zarić, Snežana D.
PY  - 2013
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/3555
PB  - Royal Soc Chemistry, Cambridge
T2  - CrystEngComm
T1  - Supplementary data for article: Vojislavljević-Vasilev, D.; Janjić, G. V.; Ninković, D.; Kapor, A.; Zarić, S. The Influence of Water Molecule Coordination onto the Water-Aromatic Interaction. Strong Interactions of Water Coordinating to a Metal Ion. CrystEngComm 2013, 15 (11), 2099–2105. https://doi.org/10.1039/c2ce25621e
UR  - https://hdl.handle.net/21.15107/rcub_cherry_3555
ER  - 

@misc{
author = "Vojislavljević-Vasilev, Dubravka and Janjić, Goran V. and Ninković, Dragan and Kapor, Agnes and Zarić, Snežana D.",
year = "2013",
publisher = "Royal Soc Chemistry, Cambridge",
journal = "CrystEngComm",
title = "Supplementary data for article: Vojislavljević-Vasilev, D.; Janjić, G. V.; Ninković, D.; Kapor, A.; Zarić, S. The Influence of Water Molecule Coordination onto the Water-Aromatic Interaction. Strong Interactions of Water Coordinating to a Metal Ion. CrystEngComm 2013, 15 (11), 2099–2105. https://doi.org/10.1039/c2ce25621e",
url = "https://hdl.handle.net/21.15107/rcub_cherry_3555"
}

Vojislavljević-Vasilev, D., Janjić, G. V., Ninković, D., Kapor, A.,& Zarić, S. D.. (2013). Supplementary data for article: Vojislavljević-Vasilev, D.; Janjić, G. V.; Ninković, D.; Kapor, A.; Zarić, S. The Influence of Water Molecule Coordination onto the Water-Aromatic Interaction. Strong Interactions of Water Coordinating to a Metal Ion. CrystEngComm 2013, 15 (11), 2099–2105. https://doi.org/10.1039/c2ce25621e. in CrystEngComm
Royal Soc Chemistry, Cambridge..
https://hdl.handle.net/21.15107/rcub_cherry_3555

Vojislavljević-Vasilev D, Janjić GV, Ninković D, Kapor A, Zarić SD. Supplementary data for article: Vojislavljević-Vasilev, D.; Janjić, G. V.; Ninković, D.; Kapor, A.; Zarić, S. The Influence of Water Molecule Coordination onto the Water-Aromatic Interaction. Strong Interactions of Water Coordinating to a Metal Ion. CrystEngComm 2013, 15 (11), 2099–2105. https://doi.org/10.1039/c2ce25621e. in CrystEngComm. 2013;.
https://hdl.handle.net/21.15107/rcub_cherry_3555 .

Vojislavljević-Vasilev, Dubravka, Janjić, Goran V., Ninković, Dragan, Kapor, Agnes, Zarić, Snežana D., "Supplementary data for article: Vojislavljević-Vasilev, D.; Janjić, G. V.; Ninković, D.; Kapor, A.; Zarić, S. The Influence of Water Molecule Coordination onto the Water-Aromatic Interaction. Strong Interactions of Water Coordinating to a Metal Ion. CrystEngComm 2013, 15 (11), 2099–2105. https://doi.org/10.1039/c2ce25621e" in CrystEngComm (2013),
https://hdl.handle.net/21.15107/rcub_cherry_3555 .

TY  - JOUR
AU  - Vojislavljević-Vasilev, Dubravka
AU  - Janjić, Goran V.
AU  - Ninković, Dragan
AU  - Kapor, Agnes
AU  - Zarić, Snežana D.
PY  - 2013
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/1602
AB  - The interactions between water molecules (non-coordinating and coordinating) and aromatic rings were studied by analyzing data in the Cambridge Structural Database and by quantum chemical calculations. The results show the influence of water coordination to a metal ion; interactions of coordinating water are stronger. The MP2/def2-QZVP interaction energies of non-coordinating water and neutral aqua complexes [ScCl3(H2O)(3)], [ZnCl2(H2O)(4)], [CdCl2(H2O)(4)], and [ZnCl2(H2O)(2)] with benzene molecule are -3.36, -5.10, -5.43, -6.86, and -5.14 kcal mol(-1), respectively. Interactions of charged aqua complexes [ZnCl(H2O)(5)](+) and [Zn(H2O)(6)](2+) are stronger, -9.69 and -13.96 kcal mol(-1), respectively. The calculations also reveal strong long-range interactions: at the distance of 3.0 angstrom the interaction energies of neutral complexes are in the range of -4.11 to -4.91 kcal mol(-1), while interaction energies of charged complexes are -6.37 and -10.76 kcal mol(-1).
PB  - Royal Soc Chemistry, Cambridge
T2  - CrystEngComm
T1  - The influence of water molecule coordination onto the water-aromatic interaction. Strong interactions of water coordinating to a metal ion
VL  - 15
IS  - 11
SP  - 2099
EP  - 2105
DO  - 10.1039/c2ce25621e
ER  - 

@article{
author = "Vojislavljević-Vasilev, Dubravka and Janjić, Goran V. and Ninković, Dragan and Kapor, Agnes and Zarić, Snežana D.",
year = "2013",
abstract = "The interactions between water molecules (non-coordinating and coordinating) and aromatic rings were studied by analyzing data in the Cambridge Structural Database and by quantum chemical calculations. The results show the influence of water coordination to a metal ion; interactions of coordinating water are stronger. The MP2/def2-QZVP interaction energies of non-coordinating water and neutral aqua complexes [ScCl3(H2O)(3)], [ZnCl2(H2O)(4)], [CdCl2(H2O)(4)], and [ZnCl2(H2O)(2)] with benzene molecule are -3.36, -5.10, -5.43, -6.86, and -5.14 kcal mol(-1), respectively. Interactions of charged aqua complexes [ZnCl(H2O)(5)](+) and [Zn(H2O)(6)](2+) are stronger, -9.69 and -13.96 kcal mol(-1), respectively. The calculations also reveal strong long-range interactions: at the distance of 3.0 angstrom the interaction energies of neutral complexes are in the range of -4.11 to -4.91 kcal mol(-1), while interaction energies of charged complexes are -6.37 and -10.76 kcal mol(-1).",
publisher = "Royal Soc Chemistry, Cambridge",
journal = "CrystEngComm",
title = "The influence of water molecule coordination onto the water-aromatic interaction. Strong interactions of water coordinating to a metal ion",
volume = "15",
number = "11",
pages = "2099-2105",
doi = "10.1039/c2ce25621e"
}

Vojislavljević-Vasilev, D., Janjić, G. V., Ninković, D., Kapor, A.,& Zarić, S. D.. (2013). The influence of water molecule coordination onto the water-aromatic interaction. Strong interactions of water coordinating to a metal ion. in CrystEngComm
Royal Soc Chemistry, Cambridge., 15(11), 2099-2105.
https://doi.org/10.1039/c2ce25621e

Vojislavljević-Vasilev D, Janjić GV, Ninković D, Kapor A, Zarić SD. The influence of water molecule coordination onto the water-aromatic interaction. Strong interactions of water coordinating to a metal ion. in CrystEngComm. 2013;15(11):2099-2105.
doi:10.1039/c2ce25621e .

Vojislavljević-Vasilev, Dubravka, Janjić, Goran V., Ninković, Dragan, Kapor, Agnes, Zarić, Snežana D., "The influence of water molecule coordination onto the water-aromatic interaction. Strong interactions of water coordinating to a metal ion" in CrystEngComm, 15, no. 11 (2013):2099-2105,
https://doi.org/10.1039/c2ce25621e . .

TY  - JOUR
AU  - Dakovic, Aleksandra
AU  - Kragovic, Milan
AU  - Rottinghaus, George E.
AU  - Ledoux, David R.
AU  - Butkeraitis, Paula
AU  - Vojislavljević-Vasilev, Dubravka
AU  - Zarić, Snežana D.
AU  - Stamenic, Ljubisav
PY  - 2012
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/1564
AB  - A zinc-exchanged montmorillonite (Zn-MONT) was prepared from a natural montmorillonite (MONT) and the adsorption of aflatoxin B-1 (AFB(1)) was investigated at pH 3 and 7. Characterization of Zn-MONT was done by determination of chemical composition, the point of the zero charge (pH(pzc)), thermal (DTA/TGA/DTG) and X-ray powder diffraction (XRPD) analysis. Adsorption of AFB(1) (C-0 = 4 ppm) by Zn-MONT, at different solid/liquid ratios (10, 1 and 0.5 g L-1), at pH 3 or 7, showed that its adsorption was high (over 96%) and independent of pH, similar to MONT. No desorption of AFB(1) from MONT-AFB(1) and Zn-MONT-AFB(1) complexes occurred at pH 6.5, suggesting strong binding of AFB(1) by both adsorbents. Furthermore, AFB(1) adsorption by Zn-MONT followed a nonlinear (Langmuir) type of isotherm at pH 3 with a calculated maximum capacity of 60.17 mg g(-1). The stability of MONT-AFB(1) and Zn-MONT-AFB(1) complexes was evaluated by calculating the binding energies between AFB(1) and metal cations using quantum chemical methods. The evaluated interaction energies of AFB(1) with hydrated Zn2+, Mg2+, and Ca2+ cations showed that the strongest interaction was the interaction of the Zn2+ system, -70.2 kcal mol(-1), whereas energies for Mg-2 and Ca2+ systems were -68.8 and -62.9 kcal mol(-1), respectively. The results indicate that Zn-MONT can be suitable for potential practical application as both, an antibacterial and an aflatoxin binding agent. (C) 2012 Elsevier B.V. All rights reserved.
PB  - Elsevier Science Sa, Lausanne
T2  - Materials Chemistry and Physics
T1  - Preparation and characterization of zinc-exchanged montmorillonite and its effectiveness as aflatoxin B-1 adsorbent
VL  - 137
IS  - 1
SP  - 213
EP  - 220
DO  - 10.1016/j.matchemphys.2012.09.010
ER  - 

@article{
author = "Dakovic, Aleksandra and Kragovic, Milan and Rottinghaus, George E. and Ledoux, David R. and Butkeraitis, Paula and Vojislavljević-Vasilev, Dubravka and Zarić, Snežana D. and Stamenic, Ljubisav",
year = "2012",
abstract = "A zinc-exchanged montmorillonite (Zn-MONT) was prepared from a natural montmorillonite (MONT) and the adsorption of aflatoxin B-1 (AFB(1)) was investigated at pH 3 and 7. Characterization of Zn-MONT was done by determination of chemical composition, the point of the zero charge (pH(pzc)), thermal (DTA/TGA/DTG) and X-ray powder diffraction (XRPD) analysis. Adsorption of AFB(1) (C-0 = 4 ppm) by Zn-MONT, at different solid/liquid ratios (10, 1 and 0.5 g L-1), at pH 3 or 7, showed that its adsorption was high (over 96%) and independent of pH, similar to MONT. No desorption of AFB(1) from MONT-AFB(1) and Zn-MONT-AFB(1) complexes occurred at pH 6.5, suggesting strong binding of AFB(1) by both adsorbents. Furthermore, AFB(1) adsorption by Zn-MONT followed a nonlinear (Langmuir) type of isotherm at pH 3 with a calculated maximum capacity of 60.17 mg g(-1). The stability of MONT-AFB(1) and Zn-MONT-AFB(1) complexes was evaluated by calculating the binding energies between AFB(1) and metal cations using quantum chemical methods. The evaluated interaction energies of AFB(1) with hydrated Zn2+, Mg2+, and Ca2+ cations showed that the strongest interaction was the interaction of the Zn2+ system, -70.2 kcal mol(-1), whereas energies for Mg-2 and Ca2+ systems were -68.8 and -62.9 kcal mol(-1), respectively. The results indicate that Zn-MONT can be suitable for potential practical application as both, an antibacterial and an aflatoxin binding agent. (C) 2012 Elsevier B.V. All rights reserved.",
publisher = "Elsevier Science Sa, Lausanne",
journal = "Materials Chemistry and Physics",
title = "Preparation and characterization of zinc-exchanged montmorillonite and its effectiveness as aflatoxin B-1 adsorbent",
volume = "137",
number = "1",
pages = "213-220",
doi = "10.1016/j.matchemphys.2012.09.010"
}

Dakovic, A., Kragovic, M., Rottinghaus, G. E., Ledoux, D. R., Butkeraitis, P., Vojislavljević-Vasilev, D., Zarić, S. D.,& Stamenic, L.. (2012). Preparation and characterization of zinc-exchanged montmorillonite and its effectiveness as aflatoxin B-1 adsorbent. in Materials Chemistry and Physics
Elsevier Science Sa, Lausanne., 137(1), 213-220.
https://doi.org/10.1016/j.matchemphys.2012.09.010

Dakovic A, Kragovic M, Rottinghaus GE, Ledoux DR, Butkeraitis P, Vojislavljević-Vasilev D, Zarić SD, Stamenic L. Preparation and characterization of zinc-exchanged montmorillonite and its effectiveness as aflatoxin B-1 adsorbent. in Materials Chemistry and Physics. 2012;137(1):213-220.
doi:10.1016/j.matchemphys.2012.09.010 .

Dakovic, Aleksandra, Kragovic, Milan, Rottinghaus, George E., Ledoux, David R., Butkeraitis, Paula, Vojislavljević-Vasilev, Dubravka, Zarić, Snežana D., Stamenic, Ljubisav, "Preparation and characterization of zinc-exchanged montmorillonite and its effectiveness as aflatoxin B-1 adsorbent" in Materials Chemistry and Physics, 137, no. 1 (2012):213-220,
https://doi.org/10.1016/j.matchemphys.2012.09.010 . .

TY  - JOUR
AU  - Sredojević, Dušan N.
AU  - Vojislavljević-Vasilev, Dubravka
AU  - Tomić, Zoran D.
AU  - Zarić, Snežana D.
PY  - 2012
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/1298
AB  - Stacking interactions in the crystal structures of square-planar transition metal complexes from the Cambridge Structural Database with five-and six-membered chelate rings fused with C6-arom rings (arom = aromatic) were analyzed. The distribution of distances between the closest C6-arom-C6-arom and C6-arom-chelate contacts shows that in a large fraction of the intermolecular interactions the C6-arom ring of one molecule is closer to the chelate than to the C6-arom ring of the other molecule. These results indicate a possible preference of the C6-arom ring to form stacking contacts with the chelate rings. The preference is ubiquitous and does not depend on the metal type.
PB  - Wiley-Blackwell, Malden
T2  - Acta Crystallographica. Section B: Structural Science
T1  - Parallel stacking interactions in square-planar transition-metal complexes containing fused chelate and C-6-aromatic rings
VL  - 68
SP  - 261
EP  - 265
DO  - 10.1107/S0108768112012281
ER  - 

@article{
author = "Sredojević, Dušan N. and Vojislavljević-Vasilev, Dubravka and Tomić, Zoran D. and Zarić, Snežana D.",
year = "2012",
abstract = "Stacking interactions in the crystal structures of square-planar transition metal complexes from the Cambridge Structural Database with five-and six-membered chelate rings fused with C6-arom rings (arom = aromatic) were analyzed. The distribution of distances between the closest C6-arom-C6-arom and C6-arom-chelate contacts shows that in a large fraction of the intermolecular interactions the C6-arom ring of one molecule is closer to the chelate than to the C6-arom ring of the other molecule. These results indicate a possible preference of the C6-arom ring to form stacking contacts with the chelate rings. The preference is ubiquitous and does not depend on the metal type.",
publisher = "Wiley-Blackwell, Malden",
journal = "Acta Crystallographica. Section B: Structural Science",
title = "Parallel stacking interactions in square-planar transition-metal complexes containing fused chelate and C-6-aromatic rings",
volume = "68",
pages = "261-265",
doi = "10.1107/S0108768112012281"
}

Sredojević, D. N., Vojislavljević-Vasilev, D., Tomić, Z. D.,& Zarić, S. D.. (2012). Parallel stacking interactions in square-planar transition-metal complexes containing fused chelate and C-6-aromatic rings. in Acta Crystallographica. Section B: Structural Science
Wiley-Blackwell, Malden., 68, 261-265.
https://doi.org/10.1107/S0108768112012281

Sredojević DN, Vojislavljević-Vasilev D, Tomić ZD, Zarić SD. Parallel stacking interactions in square-planar transition-metal complexes containing fused chelate and C-6-aromatic rings. in Acta Crystallographica. Section B: Structural Science. 2012;68:261-265.
doi:10.1107/S0108768112012281 .

Sredojević, Dušan N., Vojislavljević-Vasilev, Dubravka, Tomić, Zoran D., Zarić, Snežana D., "Parallel stacking interactions in square-planar transition-metal complexes containing fused chelate and C-6-aromatic rings" in Acta Crystallographica. Section B: Structural Science, 68 (2012):261-265,
https://doi.org/10.1107/S0108768112012281 . .