TY  - JOUR
AU  - Dragelj, Jovan Lj.
AU  - Stanković, Ivana M.
AU  - Božinovski, Dragana M.
AU  - Meyer, Tim
AU  - Veljković, Dušan Ž.
AU  - Medaković, Vesna
AU  - Knapp, Ernst-Walter
AU  - Zarić, Snežana D.
PY  - 2016
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/1910
AB  - C-H/O interactions of aromatic C-H donors within proteins have been studied by analyzing the data in the Protein Data Bank (PDB). The C-H/O interactions were studied between aromatic donors; phenylalanine, tyrosine, and tryptophan and the acceptors; alcohol, backbone amide, and side-chain amide groups. The analysis of the C-H-O angle indicates that protein C-H donors do not show a preference for linear contacts. Although there is no tendency for linear C-H/O interactions, there are only around 3% of bifurcated C-H/O interactions. Furthermore, the analyses of the C-H/O interactions indicate an influence of simultaneous classical hydrogen bonds, especially for the tyrosine systems. The calculated electrostatic potential maps for model systems can explain the results of the crystallographic analysis. These results can be important for recognizing the C-H/O interaction of aromatic rings in the crystal structures of proteic systems.
PB  - Amer Chemical Soc, Washington
T2  - Crystal Growth and Design
T1  - C-H/O Interactions of Aromatic CH Donors within Proteins: A Crystallographic Study
VL  - 16
IS  - 4
SP  - 1948
EP  - 1957
DO  - 10.1021/acs.cgd.5b01543
ER  - 

@article{
author = "Dragelj, Jovan Lj. and Stanković, Ivana M. and Božinovski, Dragana M. and Meyer, Tim and Veljković, Dušan Ž. and Medaković, Vesna and Knapp, Ernst-Walter and Zarić, Snežana D.",
year = "2016",
abstract = "C-H/O interactions of aromatic C-H donors within proteins have been studied by analyzing the data in the Protein Data Bank (PDB). The C-H/O interactions were studied between aromatic donors; phenylalanine, tyrosine, and tryptophan and the acceptors; alcohol, backbone amide, and side-chain amide groups. The analysis of the C-H-O angle indicates that protein C-H donors do not show a preference for linear contacts. Although there is no tendency for linear C-H/O interactions, there are only around 3% of bifurcated C-H/O interactions. Furthermore, the analyses of the C-H/O interactions indicate an influence of simultaneous classical hydrogen bonds, especially for the tyrosine systems. The calculated electrostatic potential maps for model systems can explain the results of the crystallographic analysis. These results can be important for recognizing the C-H/O interaction of aromatic rings in the crystal structures of proteic systems.",
publisher = "Amer Chemical Soc, Washington",
journal = "Crystal Growth and Design",
title = "C-H/O Interactions of Aromatic CH Donors within Proteins: A Crystallographic Study",
volume = "16",
number = "4",
pages = "1948-1957",
doi = "10.1021/acs.cgd.5b01543"
}

Dragelj, J. Lj., Stanković, I. M., Božinovski, D. M., Meyer, T., Veljković, D. Ž., Medaković, V., Knapp, E.,& Zarić, S. D.. (2016). C-H/O Interactions of Aromatic CH Donors within Proteins: A Crystallographic Study. in Crystal Growth and Design
Amer Chemical Soc, Washington., 16(4), 1948-1957.
https://doi.org/10.1021/acs.cgd.5b01543

Dragelj JL, Stanković IM, Božinovski DM, Meyer T, Veljković DŽ, Medaković V, Knapp E, Zarić SD. C-H/O Interactions of Aromatic CH Donors within Proteins: A Crystallographic Study. in Crystal Growth and Design. 2016;16(4):1948-1957.
doi:10.1021/acs.cgd.5b01543 .

Dragelj, Jovan Lj., Stanković, Ivana M., Božinovski, Dragana M., Meyer, Tim, Veljković, Dušan Ž., Medaković, Vesna, Knapp, Ernst-Walter, Zarić, Snežana D., "C-H/O Interactions of Aromatic CH Donors within Proteins: A Crystallographic Study" in Crystal Growth and Design, 16, no. 4 (2016):1948-1957,
https://doi.org/10.1021/acs.cgd.5b01543 . .

TY  - DATA
AU  - Dragelj, Jovan Lj.
AU  - Stanković, Ivana M.
AU  - Božinovski, Dragana M.
AU  - Meyer, Tim
AU  - Veljković, Dušan Ž.
AU  - Medaković, Vesna
AU  - Knapp, Ernst-Walter
AU  - Zarić, Snežana D.
PY  - 2016
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/3393
PB  - Amer Chemical Soc, Washington
T2  - Crystal Growth and Design
T1  - Supplementary data for the article: Dragelj, J. Lj.; Stanković, I. M.; Božinovski, D. M.; Meyer, T.; Veljković, D. Z.; Medaković, V. B.; Knapp, E.-W.; Zarić, S. D. C-H/O Interactions of Aromatic CH Donors within Proteins: A Crystallographic Study. Crystal Growth and Design 2016, 16 (4), 1948–1957. https://doi.org/10.1021/acs.cgd.5b01543
UR  - https://hdl.handle.net/21.15107/rcub_cherry_3393
ER  - 

@misc{
author = "Dragelj, Jovan Lj. and Stanković, Ivana M. and Božinovski, Dragana M. and Meyer, Tim and Veljković, Dušan Ž. and Medaković, Vesna and Knapp, Ernst-Walter and Zarić, Snežana D.",
year = "2016",
publisher = "Amer Chemical Soc, Washington",
journal = "Crystal Growth and Design",
title = "Supplementary data for the article: Dragelj, J. Lj.; Stanković, I. M.; Božinovski, D. M.; Meyer, T.; Veljković, D. Z.; Medaković, V. B.; Knapp, E.-W.; Zarić, S. D. C-H/O Interactions of Aromatic CH Donors within Proteins: A Crystallographic Study. Crystal Growth and Design 2016, 16 (4), 1948–1957. https://doi.org/10.1021/acs.cgd.5b01543",
url = "https://hdl.handle.net/21.15107/rcub_cherry_3393"
}

Dragelj, J. Lj., Stanković, I. M., Božinovski, D. M., Meyer, T., Veljković, D. Ž., Medaković, V., Knapp, E.,& Zarić, S. D.. (2016). Supplementary data for the article: Dragelj, J. Lj.; Stanković, I. M.; Božinovski, D. M.; Meyer, T.; Veljković, D. Z.; Medaković, V. B.; Knapp, E.-W.; Zarić, S. D. C-H/O Interactions of Aromatic CH Donors within Proteins: A Crystallographic Study. Crystal Growth and Design 2016, 16 (4), 1948–1957. https://doi.org/10.1021/acs.cgd.5b01543. in Crystal Growth and Design
Amer Chemical Soc, Washington..
https://hdl.handle.net/21.15107/rcub_cherry_3393

Dragelj JL, Stanković IM, Božinovski DM, Meyer T, Veljković DŽ, Medaković V, Knapp E, Zarić SD. Supplementary data for the article: Dragelj, J. Lj.; Stanković, I. M.; Božinovski, D. M.; Meyer, T.; Veljković, D. Z.; Medaković, V. B.; Knapp, E.-W.; Zarić, S. D. C-H/O Interactions of Aromatic CH Donors within Proteins: A Crystallographic Study. Crystal Growth and Design 2016, 16 (4), 1948–1957. https://doi.org/10.1021/acs.cgd.5b01543. in Crystal Growth and Design. 2016;.
https://hdl.handle.net/21.15107/rcub_cherry_3393 .

Dragelj, Jovan Lj., Stanković, Ivana M., Božinovski, Dragana M., Meyer, Tim, Veljković, Dušan Ž., Medaković, Vesna, Knapp, Ernst-Walter, Zarić, Snežana D., "Supplementary data for the article: Dragelj, J. Lj.; Stanković, I. M.; Božinovski, D. M.; Meyer, T.; Veljković, D. Z.; Medaković, V. B.; Knapp, E.-W.; Zarić, S. D. C-H/O Interactions of Aromatic CH Donors within Proteins: A Crystallographic Study. Crystal Growth and Design 2016, 16 (4), 1948–1957. https://doi.org/10.1021/acs.cgd.5b01543" in Crystal Growth and Design (2016),
https://hdl.handle.net/21.15107/rcub_cherry_3393 .

TY  - DATA
AU  - Malenov, Dušan P.
AU  - Dragelj, Jovan Lj.
AU  - Janjić, Goran V.
AU  - Zarić, Snežana D.
PY  - 2016
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/3426
PB  - Amer Chemical Soc, Washington
T2  - Crystal Growth and Design
T1  - Supplementary data for the article: Malenov, D. P.; Dragelj, J. L.; Janjić, G. V.; Zarić, S. D. Coordinating Benzenes Stack Stronger than Noncoordinating Benzenes, Even at Large Horizontal Displacements. Crystal Growth and Design 2016, 16 (8), 4169–4172. https://doi.org/10.1021/acs.cgd.5b01514
UR  - https://hdl.handle.net/21.15107/rcub_cherry_3426
ER  - 

@misc{
author = "Malenov, Dušan P. and Dragelj, Jovan Lj. and Janjić, Goran V. and Zarić, Snežana D.",
year = "2016",
publisher = "Amer Chemical Soc, Washington",
journal = "Crystal Growth and Design",
title = "Supplementary data for the article: Malenov, D. P.; Dragelj, J. L.; Janjić, G. V.; Zarić, S. D. Coordinating Benzenes Stack Stronger than Noncoordinating Benzenes, Even at Large Horizontal Displacements. Crystal Growth and Design 2016, 16 (8), 4169–4172. https://doi.org/10.1021/acs.cgd.5b01514",
url = "https://hdl.handle.net/21.15107/rcub_cherry_3426"
}

Malenov, D. P., Dragelj, J. Lj., Janjić, G. V.,& Zarić, S. D.. (2016). Supplementary data for the article: Malenov, D. P.; Dragelj, J. L.; Janjić, G. V.; Zarić, S. D. Coordinating Benzenes Stack Stronger than Noncoordinating Benzenes, Even at Large Horizontal Displacements. Crystal Growth and Design 2016, 16 (8), 4169–4172. https://doi.org/10.1021/acs.cgd.5b01514. in Crystal Growth and Design
Amer Chemical Soc, Washington..
https://hdl.handle.net/21.15107/rcub_cherry_3426

Malenov DP, Dragelj JL, Janjić GV, Zarić SD. Supplementary data for the article: Malenov, D. P.; Dragelj, J. L.; Janjić, G. V.; Zarić, S. D. Coordinating Benzenes Stack Stronger than Noncoordinating Benzenes, Even at Large Horizontal Displacements. Crystal Growth and Design 2016, 16 (8), 4169–4172. https://doi.org/10.1021/acs.cgd.5b01514. in Crystal Growth and Design. 2016;.
https://hdl.handle.net/21.15107/rcub_cherry_3426 .

Malenov, Dušan P., Dragelj, Jovan Lj., Janjić, Goran V., Zarić, Snežana D., "Supplementary data for the article: Malenov, D. P.; Dragelj, J. L.; Janjić, G. V.; Zarić, S. D. Coordinating Benzenes Stack Stronger than Noncoordinating Benzenes, Even at Large Horizontal Displacements. Crystal Growth and Design 2016, 16 (8), 4169–4172. https://doi.org/10.1021/acs.cgd.5b01514" in Crystal Growth and Design (2016),
https://hdl.handle.net/21.15107/rcub_cherry_3426 .

TY  - JOUR
AU  - Malenov, Dušan P.
AU  - Dragelj, Jovan Lj.
AU  - Janjić, Goran V.
AU  - Zarić, Snežana D.
PY  - 2016
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/2287
AB  - Stacking interactions between two benzene molecules that coordinate transition metal ions within organometallic sandwich and half-sandwich compounds were investigated by performing Cambridge Structural Database (CSD) search and DFT-D calculations. Calculations of interaction energies revealed that stacking interactions between coordinating benzenes of sandwich (-3.69 kcal/mol) and half-sandwich compounds (-3.29 kcal/mol) are significantly stronger than the stacking interaction between noncoordinating benzenes (-2.7 kcal/mol). At large horizontal displacements (offset r = 5.0 angstrom), these sandwich parallel to sandwich interactions are remarkably strong (-3.03 kcal/mol)) while half-sandwich parallel to half-sandwich interactions are significantly weaker (-1.27 kcal/mol). The results of calculations are in good agreement with the data in the crystal structures from the CSD, where 76% of sandwich parallel to sandwich contacts have large horizontal displacements, which is significantly more than 46% of half-sandwich parallel to half-sandwich contacts arranged in this fashion. The study provides valuable information about interactions of aromatic molecules relevant to crystal engineering, materials design, and molecular recognition.
PB  - Amer Chemical Soc, Washington
T2  - Crystal Growth and Design
T1  - Coordinating Benzenes Stack Stronger than Noncoordinating Benzenes, even at Large Horizontal Displacements
VL  - 16
IS  - 8
SP  - 4169
EP  - 4172
DO  - 10.1021/acs.cgd.5b01514
ER  - 

@article{
author = "Malenov, Dušan P. and Dragelj, Jovan Lj. and Janjić, Goran V. and Zarić, Snežana D.",
year = "2016",
abstract = "Stacking interactions between two benzene molecules that coordinate transition metal ions within organometallic sandwich and half-sandwich compounds were investigated by performing Cambridge Structural Database (CSD) search and DFT-D calculations. Calculations of interaction energies revealed that stacking interactions between coordinating benzenes of sandwich (-3.69 kcal/mol) and half-sandwich compounds (-3.29 kcal/mol) are significantly stronger than the stacking interaction between noncoordinating benzenes (-2.7 kcal/mol). At large horizontal displacements (offset r = 5.0 angstrom), these sandwich parallel to sandwich interactions are remarkably strong (-3.03 kcal/mol)) while half-sandwich parallel to half-sandwich interactions are significantly weaker (-1.27 kcal/mol). The results of calculations are in good agreement with the data in the crystal structures from the CSD, where 76% of sandwich parallel to sandwich contacts have large horizontal displacements, which is significantly more than 46% of half-sandwich parallel to half-sandwich contacts arranged in this fashion. The study provides valuable information about interactions of aromatic molecules relevant to crystal engineering, materials design, and molecular recognition.",
publisher = "Amer Chemical Soc, Washington",
journal = "Crystal Growth and Design",
title = "Coordinating Benzenes Stack Stronger than Noncoordinating Benzenes, even at Large Horizontal Displacements",
volume = "16",
number = "8",
pages = "4169-4172",
doi = "10.1021/acs.cgd.5b01514"
}

Malenov, D. P., Dragelj, J. Lj., Janjić, G. V.,& Zarić, S. D.. (2016). Coordinating Benzenes Stack Stronger than Noncoordinating Benzenes, even at Large Horizontal Displacements. in Crystal Growth and Design
Amer Chemical Soc, Washington., 16(8), 4169-4172.
https://doi.org/10.1021/acs.cgd.5b01514

Malenov DP, Dragelj JL, Janjić GV, Zarić SD. Coordinating Benzenes Stack Stronger than Noncoordinating Benzenes, even at Large Horizontal Displacements. in Crystal Growth and Design. 2016;16(8):4169-4172.
doi:10.1021/acs.cgd.5b01514 .

Malenov, Dušan P., Dragelj, Jovan Lj., Janjić, Goran V., Zarić, Snežana D., "Coordinating Benzenes Stack Stronger than Noncoordinating Benzenes, even at Large Horizontal Displacements" in Crystal Growth and Design, 16, no. 8 (2016):4169-4172,
https://doi.org/10.1021/acs.cgd.5b01514 . .

TY  - JOUR
AU  - Dragelj, Jovan Lj.
AU  - Janjić, Goran V.
AU  - Veljković, Dušan Ž.
AU  - Zarić, Snežana D.
PY  - 2013
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/1444
AB  - The CH-O interactions of pyridine with water molecules were studied by analysing the data in the Cambridge Structural Database (CSD) and by ab initio calculations. The analysis of the CH-O interactions in the crystal structures from the CSD indicates that pyridine C-H donors do not show preference for linear contacts. The results of the ab initio calculations are in accord with the CSD data and show that stabilization energy is larger for bifurcated interactions than for linear interactions. The calculated interaction energies at the MP2/cc-pVQZ level for linear CH-O interactions between water and pyridine ortho, meta, and para C-H groups are -1.24, -1.94 and -1.97 kcal mol(-1), respectively. The calculated energies for bifurcated ortho-meta and meta-para interactions are -1.96 and -2.16 kcal mol(-1). The data in the crystal structures from the CSD and ab initio calculations show a strong influence of simultaneous classical hydrogen bonds of pyridine on the CH-O interactions. The results show that simultaneous hydrogen bonds strengthen the CH-O interaction by about 20%. The calculated interaction energies for linear CH-O interactions between water and pyridine, with simultaneous hydrogen bonds, for ortho, meta, and para C-H groups are -1.64, -2.34, and -2.33 kcal mol(-1), respectively, while those for ortho-meta and meta-para bifurcated interactions are -2.44 and -2.58 kcal mol(-1). The energies of the meta-para bifurcated interactions calculated at the CCSD(T)(limit) level for pyridine without and with hydrogen bonds are -2.30 and -2.69 kcal mol(-1), respectively. The result that nonlinear interactions are energetically favoured can be very important for recognizing the CH-O interaction of heteroaromatic rings in the crystal structures and biomolecules.
PB  - Royal Soc Chemistry, Cambridge
T2  - CrystEngComm
T1  - Crystallographic and ab initio study of pyridine CH-O interactions: linearity of the interactions and influence of pyridine classical hydrogen bonds
VL  - 15
IS  - 48
SP  - 10481
EP  - 10489
DO  - 10.1039/c3ce40759d
ER  - 

@article{
author = "Dragelj, Jovan Lj. and Janjić, Goran V. and Veljković, Dušan Ž. and Zarić, Snežana D.",
year = "2013",
abstract = "The CH-O interactions of pyridine with water molecules were studied by analysing the data in the Cambridge Structural Database (CSD) and by ab initio calculations. The analysis of the CH-O interactions in the crystal structures from the CSD indicates that pyridine C-H donors do not show preference for linear contacts. The results of the ab initio calculations are in accord with the CSD data and show that stabilization energy is larger for bifurcated interactions than for linear interactions. The calculated interaction energies at the MP2/cc-pVQZ level for linear CH-O interactions between water and pyridine ortho, meta, and para C-H groups are -1.24, -1.94 and -1.97 kcal mol(-1), respectively. The calculated energies for bifurcated ortho-meta and meta-para interactions are -1.96 and -2.16 kcal mol(-1). The data in the crystal structures from the CSD and ab initio calculations show a strong influence of simultaneous classical hydrogen bonds of pyridine on the CH-O interactions. The results show that simultaneous hydrogen bonds strengthen the CH-O interaction by about 20%. The calculated interaction energies for linear CH-O interactions between water and pyridine, with simultaneous hydrogen bonds, for ortho, meta, and para C-H groups are -1.64, -2.34, and -2.33 kcal mol(-1), respectively, while those for ortho-meta and meta-para bifurcated interactions are -2.44 and -2.58 kcal mol(-1). The energies of the meta-para bifurcated interactions calculated at the CCSD(T)(limit) level for pyridine without and with hydrogen bonds are -2.30 and -2.69 kcal mol(-1), respectively. The result that nonlinear interactions are energetically favoured can be very important for recognizing the CH-O interaction of heteroaromatic rings in the crystal structures and biomolecules.",
publisher = "Royal Soc Chemistry, Cambridge",
journal = "CrystEngComm",
title = "Crystallographic and ab initio study of pyridine CH-O interactions: linearity of the interactions and influence of pyridine classical hydrogen bonds",
volume = "15",
number = "48",
pages = "10481-10489",
doi = "10.1039/c3ce40759d"
}

Dragelj, J. Lj., Janjić, G. V., Veljković, D. Ž.,& Zarić, S. D.. (2013). Crystallographic and ab initio study of pyridine CH-O interactions: linearity of the interactions and influence of pyridine classical hydrogen bonds. in CrystEngComm
Royal Soc Chemistry, Cambridge., 15(48), 10481-10489.
https://doi.org/10.1039/c3ce40759d

Dragelj JL, Janjić GV, Veljković DŽ, Zarić SD. Crystallographic and ab initio study of pyridine CH-O interactions: linearity of the interactions and influence of pyridine classical hydrogen bonds. in CrystEngComm. 2013;15(48):10481-10489.
doi:10.1039/c3ce40759d .

Dragelj, Jovan Lj., Janjić, Goran V., Veljković, Dušan Ž., Zarić, Snežana D., "Crystallographic and ab initio study of pyridine CH-O interactions: linearity of the interactions and influence of pyridine classical hydrogen bonds" in CrystEngComm, 15, no. 48 (2013):10481-10489,
https://doi.org/10.1039/c3ce40759d . .

TY  - JOUR
AU  - Dragelj, Jovan Lj.
AU  - Janjić, Goran V.
AU  - Veljković, Dušan Ž.
AU  - Zarić, Snežana D.
PY  - 2013
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/3478
AB  - The CH-O interactions of pyridine with water molecules were studied by analysing the data in the Cambridge Structural Database (CSD) and by ab initio calculations. The analysis of the CH-O interactions in the crystal structures from the CSD indicates that pyridine C-H donors do not show preference for linear contacts. The results of the ab initio calculations are in accord with the CSD data and show that stabilization energy is larger for bifurcated interactions than for linear interactions. The calculated interaction energies at the MP2/cc-pVQZ level for linear CH-O interactions between water and pyridine ortho, meta, and para C-H groups are -1.24, -1.94 and -1.97 kcal mol(-1), respectively. The calculated energies for bifurcated ortho-meta and meta-para interactions are -1.96 and -2.16 kcal mol(-1). The data in the crystal structures from the CSD and ab initio calculations show a strong influence of simultaneous classical hydrogen bonds of pyridine on the CH-O interactions. The results show that simultaneous hydrogen bonds strengthen the CH-O interaction by about 20%. The calculated interaction energies for linear CH-O interactions between water and pyridine, with simultaneous hydrogen bonds, for ortho, meta, and para C-H groups are -1.64, -2.34, and -2.33 kcal mol(-1), respectively, while those for ortho-meta and meta-para bifurcated interactions are -2.44 and -2.58 kcal mol(-1). The energies of the meta-para bifurcated interactions calculated at the CCSD(T)(limit) level for pyridine without and with hydrogen bonds are -2.30 and -2.69 kcal mol(-1), respectively. The result that nonlinear interactions are energetically favoured can be very important for recognizing the CH-O interaction of heteroaromatic rings in the crystal structures and biomolecules.
PB  - Royal Soc Chemistry, Cambridge
T2  - CrystEngComm
T1  - Crystallographic and ab initio study of pyridine CH-O interactions: linearity of the interactions and influence of pyridine classical hydrogen bonds
VL  - 15
IS  - 48
SP  - 10481
EP  - 10489
DO  - 10.1039/c3ce40759d
ER  - 

@article{
author = "Dragelj, Jovan Lj. and Janjić, Goran V. and Veljković, Dušan Ž. and Zarić, Snežana D.",
year = "2013",
abstract = "The CH-O interactions of pyridine with water molecules were studied by analysing the data in the Cambridge Structural Database (CSD) and by ab initio calculations. The analysis of the CH-O interactions in the crystal structures from the CSD indicates that pyridine C-H donors do not show preference for linear contacts. The results of the ab initio calculations are in accord with the CSD data and show that stabilization energy is larger for bifurcated interactions than for linear interactions. The calculated interaction energies at the MP2/cc-pVQZ level for linear CH-O interactions between water and pyridine ortho, meta, and para C-H groups are -1.24, -1.94 and -1.97 kcal mol(-1), respectively. The calculated energies for bifurcated ortho-meta and meta-para interactions are -1.96 and -2.16 kcal mol(-1). The data in the crystal structures from the CSD and ab initio calculations show a strong influence of simultaneous classical hydrogen bonds of pyridine on the CH-O interactions. The results show that simultaneous hydrogen bonds strengthen the CH-O interaction by about 20%. The calculated interaction energies for linear CH-O interactions between water and pyridine, with simultaneous hydrogen bonds, for ortho, meta, and para C-H groups are -1.64, -2.34, and -2.33 kcal mol(-1), respectively, while those for ortho-meta and meta-para bifurcated interactions are -2.44 and -2.58 kcal mol(-1). The energies of the meta-para bifurcated interactions calculated at the CCSD(T)(limit) level for pyridine without and with hydrogen bonds are -2.30 and -2.69 kcal mol(-1), respectively. The result that nonlinear interactions are energetically favoured can be very important for recognizing the CH-O interaction of heteroaromatic rings in the crystal structures and biomolecules.",
publisher = "Royal Soc Chemistry, Cambridge",
journal = "CrystEngComm",
title = "Crystallographic and ab initio study of pyridine CH-O interactions: linearity of the interactions and influence of pyridine classical hydrogen bonds",
volume = "15",
number = "48",
pages = "10481-10489",
doi = "10.1039/c3ce40759d"
}

Dragelj, J. Lj., Janjić, G. V., Veljković, D. Ž.,& Zarić, S. D.. (2013). Crystallographic and ab initio study of pyridine CH-O interactions: linearity of the interactions and influence of pyridine classical hydrogen bonds. in CrystEngComm
Royal Soc Chemistry, Cambridge., 15(48), 10481-10489.
https://doi.org/10.1039/c3ce40759d

Dragelj JL, Janjić GV, Veljković DŽ, Zarić SD. Crystallographic and ab initio study of pyridine CH-O interactions: linearity of the interactions and influence of pyridine classical hydrogen bonds. in CrystEngComm. 2013;15(48):10481-10489.
doi:10.1039/c3ce40759d .

Dragelj, Jovan Lj., Janjić, Goran V., Veljković, Dušan Ž., Zarić, Snežana D., "Crystallographic and ab initio study of pyridine CH-O interactions: linearity of the interactions and influence of pyridine classical hydrogen bonds" in CrystEngComm, 15, no. 48 (2013):10481-10489,
https://doi.org/10.1039/c3ce40759d . .

TY  - DATA
AU  - Dragelj, Jovan Lj.
AU  - Janjić, Goran V.
AU  - Veljković, Dušan Ž.
AU  - Zarić, Snežana D.
PY  - 2013
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/3479
PB  - Royal Soc Chemistry, Cambridge
T2  - CrystEngComm
T1  - Supplementary data for article: Dragelj, J. L.; Janjić, G. V.; Veljković, D. Ž.; Zarić, S. Crystallographic and Ab Initio Study of Pyridine CH-O Interactions: Linearity of the Interactions and Influence of Pyridine Classical Hydrogen Bonds. CrystEngComm 2013, 15 (48), 10481–10489. https://doi.org/10.1039/c3ce40759d
UR  - https://hdl.handle.net/21.15107/rcub_cherry_3479
ER  - 

@misc{
author = "Dragelj, Jovan Lj. and Janjić, Goran V. and Veljković, Dušan Ž. and Zarić, Snežana D.",
year = "2013",
publisher = "Royal Soc Chemistry, Cambridge",
journal = "CrystEngComm",
title = "Supplementary data for article: Dragelj, J. L.; Janjić, G. V.; Veljković, D. Ž.; Zarić, S. Crystallographic and Ab Initio Study of Pyridine CH-O Interactions: Linearity of the Interactions and Influence of Pyridine Classical Hydrogen Bonds. CrystEngComm 2013, 15 (48), 10481–10489. https://doi.org/10.1039/c3ce40759d",
url = "https://hdl.handle.net/21.15107/rcub_cherry_3479"
}

Dragelj, J. Lj., Janjić, G. V., Veljković, D. Ž.,& Zarić, S. D.. (2013). Supplementary data for article: Dragelj, J. L.; Janjić, G. V.; Veljković, D. Ž.; Zarić, S. Crystallographic and Ab Initio Study of Pyridine CH-O Interactions: Linearity of the Interactions and Influence of Pyridine Classical Hydrogen Bonds. CrystEngComm 2013, 15 (48), 10481–10489. https://doi.org/10.1039/c3ce40759d. in CrystEngComm
Royal Soc Chemistry, Cambridge..
https://hdl.handle.net/21.15107/rcub_cherry_3479

Dragelj JL, Janjić GV, Veljković DŽ, Zarić SD. Supplementary data for article: Dragelj, J. L.; Janjić, G. V.; Veljković, D. Ž.; Zarić, S. Crystallographic and Ab Initio Study of Pyridine CH-O Interactions: Linearity of the Interactions and Influence of Pyridine Classical Hydrogen Bonds. CrystEngComm 2013, 15 (48), 10481–10489. https://doi.org/10.1039/c3ce40759d. in CrystEngComm. 2013;.
https://hdl.handle.net/21.15107/rcub_cherry_3479 .

Dragelj, Jovan Lj., Janjić, Goran V., Veljković, Dušan Ž., Zarić, Snežana D., "Supplementary data for article: Dragelj, J. L.; Janjić, G. V.; Veljković, D. Ž.; Zarić, S. Crystallographic and Ab Initio Study of Pyridine CH-O Interactions: Linearity of the Interactions and Influence of Pyridine Classical Hydrogen Bonds. CrystEngComm 2013, 15 (48), 10481–10489. https://doi.org/10.1039/c3ce40759d" in CrystEngComm (2013),
https://hdl.handle.net/21.15107/rcub_cherry_3479 .