TY  - DATA
AU  - Rašović, Aleksandar
AU  - Blagojević, Vladimir A.
AU  - Baranac-Stojanović, Marija
AU  - Kleinpeter, Erich
AU  - Marković, Rade
AU  - Minić, Dragica M.
PY  - 2016
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/3602
PB  - Royal Soc Chemistry, Cambridge
T2  - New Journal of Chemistry
T1  - Supplementary data for the article: Rašović, A.; Blagojević, V.; Baranac-Stojanović, M.; Kleinpeter, E.; Marković, R.; Minić, D. M. Quantification of the Push-Pull Effect in 2-Alkylidene-4-Oxothiazolidines by Using NMR Spectral Data and Barriers to Rotation around the CC Bond. New Journal of Chemistry 2016, 40 (7), 6364–6373. https://doi.org/10.1039/c6nj00901h
UR  - https://hdl.handle.net/21.15107/rcub_cherry_3602
ER  - 

@misc{
author = "Rašović, Aleksandar and Blagojević, Vladimir A. and Baranac-Stojanović, Marija and Kleinpeter, Erich and Marković, Rade and Minić, Dragica M.",
year = "2016",
publisher = "Royal Soc Chemistry, Cambridge",
journal = "New Journal of Chemistry",
title = "Supplementary data for the article: Rašović, A.; Blagojević, V.; Baranac-Stojanović, M.; Kleinpeter, E.; Marković, R.; Minić, D. M. Quantification of the Push-Pull Effect in 2-Alkylidene-4-Oxothiazolidines by Using NMR Spectral Data and Barriers to Rotation around the CC Bond. New Journal of Chemistry 2016, 40 (7), 6364–6373. https://doi.org/10.1039/c6nj00901h",
url = "https://hdl.handle.net/21.15107/rcub_cherry_3602"
}

Rašović, A., Blagojević, V. A., Baranac-Stojanović, M., Kleinpeter, E., Marković, R.,& Minić, D. M.. (2016). Supplementary data for the article: Rašović, A.; Blagojević, V.; Baranac-Stojanović, M.; Kleinpeter, E.; Marković, R.; Minić, D. M. Quantification of the Push-Pull Effect in 2-Alkylidene-4-Oxothiazolidines by Using NMR Spectral Data and Barriers to Rotation around the CC Bond. New Journal of Chemistry 2016, 40 (7), 6364–6373. https://doi.org/10.1039/c6nj00901h. in New Journal of Chemistry
Royal Soc Chemistry, Cambridge..
https://hdl.handle.net/21.15107/rcub_cherry_3602

Rašović A, Blagojević VA, Baranac-Stojanović M, Kleinpeter E, Marković R, Minić DM. Supplementary data for the article: Rašović, A.; Blagojević, V.; Baranac-Stojanović, M.; Kleinpeter, E.; Marković, R.; Minić, D. M. Quantification of the Push-Pull Effect in 2-Alkylidene-4-Oxothiazolidines by Using NMR Spectral Data and Barriers to Rotation around the CC Bond. New Journal of Chemistry 2016, 40 (7), 6364–6373. https://doi.org/10.1039/c6nj00901h. in New Journal of Chemistry. 2016;.
https://hdl.handle.net/21.15107/rcub_cherry_3602 .

Rašović, Aleksandar, Blagojević, Vladimir A., Baranac-Stojanović, Marija, Kleinpeter, Erich, Marković, Rade, Minić, Dragica M., "Supplementary data for the article: Rašović, A.; Blagojević, V.; Baranac-Stojanović, M.; Kleinpeter, E.; Marković, R.; Minić, D. M. Quantification of the Push-Pull Effect in 2-Alkylidene-4-Oxothiazolidines by Using NMR Spectral Data and Barriers to Rotation around the CC Bond. New Journal of Chemistry 2016, 40 (7), 6364–6373. https://doi.org/10.1039/c6nj00901h" in New Journal of Chemistry (2016),
https://hdl.handle.net/21.15107/rcub_cherry_3602 .

TY  - JOUR
AU  - Rašović, Aleksandar
AU  - Blagojević, Vladimir A.
AU  - Baranac-Stojanović, Marija
AU  - Kleinpeter, Erich
AU  - Marković, Rade
AU  - Minić, Dragica M.
PY  - 2016
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/2336
AB  - Information about the strength of donor-acceptor interactions in push-pull alkenes is valuable, as this so-called "push-pull effect'' influences their chemical reactivity and dynamic behaviour. In this paper, we discuss the applicability of NMR spectral data and barriers to rotation around the CQC double bond to quantify the push-pull effect in biologically important 2-alkylidene-4-oxothiazolidines. While olefinic proton chemical shifts and differences in C-13 NMR chemical shifts of the two carbons constituting the CQC double bond fail to give the correct trend in the electron withdrawing ability of the substituents attached to the exocyclic carbon of the double bond, barriers to rotation prove to be a reliable quantity in providing information about the extent of donor-acceptor interactions in the push-pull systems studied. In particular all relevant kinetic data, that is the Arrhenius parameters ( apparent activation energy Ea and frequency factor A) and activation parameters ( Delta S-double dagger, Delta H-double dagger and Delta G(double dagger)), were determined from the data of the experimentally studied configurational isomerization of ( E)-9a. These results were compared to previously published related data for other two compounds, ( Z)-1b and ( 2E, 5Z)-7, showing that experimentally determined Delta G(double dagger) values are a good indicator of the strength of push-pull character. Theoretical calculations of the rotational barriers of eight selected derivatives excellently correlate with the calculated CQC bond lengths and corroborate the applicability of Delta G(double dagger) for estimation of the strength of the push-pull effect in these and related systems.
PB  - Royal Soc Chemistry, Cambridge
T2  - New Journal of Chemistry
T1  - Quantification of the push-pull effect in 2-alkylidene-4-oxothiazolidines by using NMR spectral data and barriers to rotation around the C=C bond
VL  - 40
IS  - 7
SP  - 6364
EP  - 6373
DO  - 10.1039/c6nj00901h
ER  - 

@article{
author = "Rašović, Aleksandar and Blagojević, Vladimir A. and Baranac-Stojanović, Marija and Kleinpeter, Erich and Marković, Rade and Minić, Dragica M.",
year = "2016",
abstract = "Information about the strength of donor-acceptor interactions in push-pull alkenes is valuable, as this so-called "push-pull effect'' influences their chemical reactivity and dynamic behaviour. In this paper, we discuss the applicability of NMR spectral data and barriers to rotation around the CQC double bond to quantify the push-pull effect in biologically important 2-alkylidene-4-oxothiazolidines. While olefinic proton chemical shifts and differences in C-13 NMR chemical shifts of the two carbons constituting the CQC double bond fail to give the correct trend in the electron withdrawing ability of the substituents attached to the exocyclic carbon of the double bond, barriers to rotation prove to be a reliable quantity in providing information about the extent of donor-acceptor interactions in the push-pull systems studied. In particular all relevant kinetic data, that is the Arrhenius parameters ( apparent activation energy Ea and frequency factor A) and activation parameters ( Delta S-double dagger, Delta H-double dagger and Delta G(double dagger)), were determined from the data of the experimentally studied configurational isomerization of ( E)-9a. These results were compared to previously published related data for other two compounds, ( Z)-1b and ( 2E, 5Z)-7, showing that experimentally determined Delta G(double dagger) values are a good indicator of the strength of push-pull character. Theoretical calculations of the rotational barriers of eight selected derivatives excellently correlate with the calculated CQC bond lengths and corroborate the applicability of Delta G(double dagger) for estimation of the strength of the push-pull effect in these and related systems.",
publisher = "Royal Soc Chemistry, Cambridge",
journal = "New Journal of Chemistry",
title = "Quantification of the push-pull effect in 2-alkylidene-4-oxothiazolidines by using NMR spectral data and barriers to rotation around the C=C bond",
volume = "40",
number = "7",
pages = "6364-6373",
doi = "10.1039/c6nj00901h"
}

Rašović, A., Blagojević, V. A., Baranac-Stojanović, M., Kleinpeter, E., Marković, R.,& Minić, D. M.. (2016). Quantification of the push-pull effect in 2-alkylidene-4-oxothiazolidines by using NMR spectral data and barriers to rotation around the C=C bond. in New Journal of Chemistry
Royal Soc Chemistry, Cambridge., 40(7), 6364-6373.
https://doi.org/10.1039/c6nj00901h

Rašović A, Blagojević VA, Baranac-Stojanović M, Kleinpeter E, Marković R, Minić DM. Quantification of the push-pull effect in 2-alkylidene-4-oxothiazolidines by using NMR spectral data and barriers to rotation around the C=C bond. in New Journal of Chemistry. 2016;40(7):6364-6373.
doi:10.1039/c6nj00901h .

Rašović, Aleksandar, Blagojević, Vladimir A., Baranac-Stojanović, Marija, Kleinpeter, Erich, Marković, Rade, Minić, Dragica M., "Quantification of the push-pull effect in 2-alkylidene-4-oxothiazolidines by using NMR spectral data and barriers to rotation around the C=C bond" in New Journal of Chemistry, 40, no. 7 (2016):6364-6373,
https://doi.org/10.1039/c6nj00901h . .

TY  - DATA
AU  - Džambaski, Zdravko
AU  - Marković, Rade
AU  - Kleinpeter, Erich
AU  - Baranac-Stojanović, Marija
PY  - 2013
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/3464
PB  - Pergamon-Elsevier Science Ltd, Oxford
T2  - Tetrahedron
T1  - Supplementary data for article: Džambaski, Z.; Markovic, R.; Kleinpeter, E.; Baranac-Stojanović, M. 2-Alkylidene-4-Oxothiazolidine S-Oxides: Synthesis and Stereochemistry. Tetrahedron 2013, 69 (31), 6436–6447. https://doi.org/10.1016/j.tet.2013.05.087
UR  - https://hdl.handle.net/21.15107/rcub_cherry_3464
ER  - 

@misc{
author = "Džambaski, Zdravko and Marković, Rade and Kleinpeter, Erich and Baranac-Stojanović, Marija",
year = "2013",
publisher = "Pergamon-Elsevier Science Ltd, Oxford",
journal = "Tetrahedron",
title = "Supplementary data for article: Džambaski, Z.; Markovic, R.; Kleinpeter, E.; Baranac-Stojanović, M. 2-Alkylidene-4-Oxothiazolidine S-Oxides: Synthesis and Stereochemistry. Tetrahedron 2013, 69 (31), 6436–6447. https://doi.org/10.1016/j.tet.2013.05.087",
url = "https://hdl.handle.net/21.15107/rcub_cherry_3464"
}

Džambaski, Z., Marković, R., Kleinpeter, E.,& Baranac-Stojanović, M.. (2013). Supplementary data for article: Džambaski, Z.; Markovic, R.; Kleinpeter, E.; Baranac-Stojanović, M. 2-Alkylidene-4-Oxothiazolidine S-Oxides: Synthesis and Stereochemistry. Tetrahedron 2013, 69 (31), 6436–6447. https://doi.org/10.1016/j.tet.2013.05.087. in Tetrahedron
Pergamon-Elsevier Science Ltd, Oxford..
https://hdl.handle.net/21.15107/rcub_cherry_3464

Džambaski Z, Marković R, Kleinpeter E, Baranac-Stojanović M. Supplementary data for article: Džambaski, Z.; Markovic, R.; Kleinpeter, E.; Baranac-Stojanović, M. 2-Alkylidene-4-Oxothiazolidine S-Oxides: Synthesis and Stereochemistry. Tetrahedron 2013, 69 (31), 6436–6447. https://doi.org/10.1016/j.tet.2013.05.087. in Tetrahedron. 2013;.
https://hdl.handle.net/21.15107/rcub_cherry_3464 .

Džambaski, Zdravko, Marković, Rade, Kleinpeter, Erich, Baranac-Stojanović, Marija, "Supplementary data for article: Džambaski, Z.; Markovic, R.; Kleinpeter, E.; Baranac-Stojanović, M. 2-Alkylidene-4-Oxothiazolidine S-Oxides: Synthesis and Stereochemistry. Tetrahedron 2013, 69 (31), 6436–6447. https://doi.org/10.1016/j.tet.2013.05.087" in Tetrahedron (2013),
https://hdl.handle.net/21.15107/rcub_cherry_3464 .

TY  - JOUR
AU  - Džambaski, Zdravko
AU  - Marković, Rade
AU  - Kleinpeter, Erich
AU  - Baranac-Stojanović, Marija
PY  - 2013
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/1371
AB  - A series of 5-unsubstituted and 5-substituted 2-alkylidene-4-oxothiazolidine-S-oxides were synthesized by the sulfur-oxidation with m-CPBA. The stereochemistry of 5-substituted sulfoxides was determined by means of NMR spectroscopy and DFT theoretical calculations. It was found that the thermodynamically less stable anti-isomer was initially formed in the course of the oxidation, but it underwent epimerization to the mixture enriched in the more stable syn-isomer, during the work-up process. The higher stability of syn-isomers is ascribed to the stronger hyperconjugative sigma(C-H)- gt sigma*(S-O) interaction versus the weaker sigma(C-C)- gt sigma*(S-O) delocalization in their anti-counterparts and to the existence of intramolecular 1,5-CH center dot center dot center dot C hydrogen bonds.
PB  - Pergamon-Elsevier Science Ltd, Oxford
T2  - Tetrahedron
T1  - 2-Alkylidene-4-oxothiazolidine S-oxides: synthesis and stereochemistry
VL  - 69
IS  - 31
SP  - 6436
EP  - 6447
DO  - 10.1016/j.tet.2013.05.087
ER  - 

@article{
author = "Džambaski, Zdravko and Marković, Rade and Kleinpeter, Erich and Baranac-Stojanović, Marija",
year = "2013",
abstract = "A series of 5-unsubstituted and 5-substituted 2-alkylidene-4-oxothiazolidine-S-oxides were synthesized by the sulfur-oxidation with m-CPBA. The stereochemistry of 5-substituted sulfoxides was determined by means of NMR spectroscopy and DFT theoretical calculations. It was found that the thermodynamically less stable anti-isomer was initially formed in the course of the oxidation, but it underwent epimerization to the mixture enriched in the more stable syn-isomer, during the work-up process. The higher stability of syn-isomers is ascribed to the stronger hyperconjugative sigma(C-H)- gt sigma*(S-O) interaction versus the weaker sigma(C-C)- gt sigma*(S-O) delocalization in their anti-counterparts and to the existence of intramolecular 1,5-CH center dot center dot center dot C hydrogen bonds.",
publisher = "Pergamon-Elsevier Science Ltd, Oxford",
journal = "Tetrahedron",
title = "2-Alkylidene-4-oxothiazolidine S-oxides: synthesis and stereochemistry",
volume = "69",
number = "31",
pages = "6436-6447",
doi = "10.1016/j.tet.2013.05.087"
}

Džambaski, Z., Marković, R., Kleinpeter, E.,& Baranac-Stojanović, M.. (2013). 2-Alkylidene-4-oxothiazolidine S-oxides: synthesis and stereochemistry. in Tetrahedron
Pergamon-Elsevier Science Ltd, Oxford., 69(31), 6436-6447.
https://doi.org/10.1016/j.tet.2013.05.087

Džambaski Z, Marković R, Kleinpeter E, Baranac-Stojanović M. 2-Alkylidene-4-oxothiazolidine S-oxides: synthesis and stereochemistry. in Tetrahedron. 2013;69(31):6436-6447.
doi:10.1016/j.tet.2013.05.087 .

Džambaski, Zdravko, Marković, Rade, Kleinpeter, Erich, Baranac-Stojanović, Marija, "2-Alkylidene-4-oxothiazolidine S-oxides: synthesis and stereochemistry" in Tetrahedron, 69, no. 31 (2013):6436-6447,
https://doi.org/10.1016/j.tet.2013.05.087 . .

TY  - JOUR
AU  - Baranac-Stojanović, Marija
AU  - Koch, Andreas
AU  - Kleinpeter, Erich
PY  - 2012
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/1236
AB  - Based on the nucleus-independent chemical shift (NICS) concept, isotropic magnetic shielding values have been computed along the three Cartesian axes for ethene, cyclobutadiene, benzene, naphthalene, and benzocyclobutadiene, starting from the molecular/ring center up to 10 angstrom away. These through-space NMR spectroscopic shielding (TSNMRS) values, which reflect the anisotropic effects, have been broken down into contributions from localized- and canonical molecular orbitals (LMOs and CMOs); these contributions revealed that the proton NMR spectroscopic chemical shifts of nuclei that are spatially close to the C?C double bond or the aromatic ring should not be explained in terms of the conventionally accepted p-electron shielding/deshielding effects. In fact, these effects followed the predictions only for the antiaromatic cyclobutadiene ring.
PB  - Wiley-Blackwell, Malden
T2  - Chemistry. A European Journal
T1  - Is the Conventional Interpretation of the Anisotropic Effects of C?C Double Bonds and Aromatic Rings in NMR Spectra in Terms of the p-Electron Shielding/Deshielding Contributions Correct?
VL  - 18
IS  - 1
SP  - 370
EP  - 376
DO  - 10.1002/chem.201101882
ER  - 

@article{
author = "Baranac-Stojanović, Marija and Koch, Andreas and Kleinpeter, Erich",
year = "2012",
abstract = "Based on the nucleus-independent chemical shift (NICS) concept, isotropic magnetic shielding values have been computed along the three Cartesian axes for ethene, cyclobutadiene, benzene, naphthalene, and benzocyclobutadiene, starting from the molecular/ring center up to 10 angstrom away. These through-space NMR spectroscopic shielding (TSNMRS) values, which reflect the anisotropic effects, have been broken down into contributions from localized- and canonical molecular orbitals (LMOs and CMOs); these contributions revealed that the proton NMR spectroscopic chemical shifts of nuclei that are spatially close to the C?C double bond or the aromatic ring should not be explained in terms of the conventionally accepted p-electron shielding/deshielding effects. In fact, these effects followed the predictions only for the antiaromatic cyclobutadiene ring.",
publisher = "Wiley-Blackwell, Malden",
journal = "Chemistry. A European Journal",
title = "Is the Conventional Interpretation of the Anisotropic Effects of C?C Double Bonds and Aromatic Rings in NMR Spectra in Terms of the p-Electron Shielding/Deshielding Contributions Correct?",
volume = "18",
number = "1",
pages = "370-376",
doi = "10.1002/chem.201101882"
}

Baranac-Stojanović, M., Koch, A.,& Kleinpeter, E.. (2012). Is the Conventional Interpretation of the Anisotropic Effects of C?C Double Bonds and Aromatic Rings in NMR Spectra in Terms of the p-Electron Shielding/Deshielding Contributions Correct?. in Chemistry. A European Journal
Wiley-Blackwell, Malden., 18(1), 370-376.
https://doi.org/10.1002/chem.201101882

Baranac-Stojanović M, Koch A, Kleinpeter E. Is the Conventional Interpretation of the Anisotropic Effects of C?C Double Bonds and Aromatic Rings in NMR Spectra in Terms of the p-Electron Shielding/Deshielding Contributions Correct?. in Chemistry. A European Journal. 2012;18(1):370-376.
doi:10.1002/chem.201101882 .

Baranac-Stojanović, Marija, Koch, Andreas, Kleinpeter, Erich, "Is the Conventional Interpretation of the Anisotropic Effects of C?C Double Bonds and Aromatic Rings in NMR Spectra in Terms of the p-Electron Shielding/Deshielding Contributions Correct?" in Chemistry. A European Journal, 18, no. 1 (2012):370-376,
https://doi.org/10.1002/chem.201101882 . .

TY  - JOUR
AU  - Stojanović, Milovan
AU  - Marković, Rade
AU  - Kleinpeter, Erich
AU  - Baranac-Stojanović, Marija
PY  - 2012
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/1237
AB  - Syntheses of thiazolidine-fused heterocycles via exo-mode cyclizations of vinylogous N-acyliminium ions incorporating heteroatom-based nucleophiles have been examined and discussed. The formation of (5,6)-membered systems was feasible with all nucleophiles tried (O, S and N), while the closing of the five-membered ring was restricted to O- and S-nucleophiles. The closure of a four-membered ring failed. Instead, the bicyclic (5,6)-membered acetal derivative and the tricyclic system with an eight-membered central ring were obtained from the substrates containing O and S nucleophilic moieties, respectively. The reaction outcome and stereochemistry are rationalized using quantum chemical calculations at B3LYP/6-31G(d) level. The exclusive cis-stereoselectivity in the formation of (5,6)- and (5,5)-membered systems results from thermodynamic control, whereas the formation of the eight-membered ring was kinetically controlled.
PB  - Royal Soc Chemistry, Cambridge
T2  - Organic and Biomolecular Chemistry
T1  - Synthesis of thiazolidine-fused heterocycles via exo-mode cyclizations of vinylogous N-acyliminium ions
VL  - 10
IS  - 3
SP  - 575
EP  - 589
DO  - 10.1039/c1ob06451g
ER  - 

@article{
author = "Stojanović, Milovan and Marković, Rade and Kleinpeter, Erich and Baranac-Stojanović, Marija",
year = "2012",
abstract = "Syntheses of thiazolidine-fused heterocycles via exo-mode cyclizations of vinylogous N-acyliminium ions incorporating heteroatom-based nucleophiles have been examined and discussed. The formation of (5,6)-membered systems was feasible with all nucleophiles tried (O, S and N), while the closing of the five-membered ring was restricted to O- and S-nucleophiles. The closure of a four-membered ring failed. Instead, the bicyclic (5,6)-membered acetal derivative and the tricyclic system with an eight-membered central ring were obtained from the substrates containing O and S nucleophilic moieties, respectively. The reaction outcome and stereochemistry are rationalized using quantum chemical calculations at B3LYP/6-31G(d) level. The exclusive cis-stereoselectivity in the formation of (5,6)- and (5,5)-membered systems results from thermodynamic control, whereas the formation of the eight-membered ring was kinetically controlled.",
publisher = "Royal Soc Chemistry, Cambridge",
journal = "Organic and Biomolecular Chemistry",
title = "Synthesis of thiazolidine-fused heterocycles via exo-mode cyclizations of vinylogous N-acyliminium ions",
volume = "10",
number = "3",
pages = "575-589",
doi = "10.1039/c1ob06451g"
}

Stojanović, M., Marković, R., Kleinpeter, E.,& Baranac-Stojanović, M.. (2012). Synthesis of thiazolidine-fused heterocycles via exo-mode cyclizations of vinylogous N-acyliminium ions. in Organic and Biomolecular Chemistry
Royal Soc Chemistry, Cambridge., 10(3), 575-589.
https://doi.org/10.1039/c1ob06451g

Stojanović M, Marković R, Kleinpeter E, Baranac-Stojanović M. Synthesis of thiazolidine-fused heterocycles via exo-mode cyclizations of vinylogous N-acyliminium ions. in Organic and Biomolecular Chemistry. 2012;10(3):575-589.
doi:10.1039/c1ob06451g .

Stojanović, Milovan, Marković, Rade, Kleinpeter, Erich, Baranac-Stojanović, Marija, "Synthesis of thiazolidine-fused heterocycles via exo-mode cyclizations of vinylogous N-acyliminium ions" in Organic and Biomolecular Chemistry, 10, no. 3 (2012):575-589,
https://doi.org/10.1039/c1ob06451g . .

TY  - JOUR
AU  - Baranac-Stojanović, Marija
AU  - Koch, Andreas
AU  - Kleinpeter, Erich
PY  - 2012
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/1557
AB  - On the basis of the nucleus-independent chemical shift (NICS) concept, the anisotropic effects of two inorganic rings, namely, borazine and planar 1,3,2,4-diazadiboretidine, are quantitatively calculated and visualized as isochemical shielding surfaces (ICSSs). Dissection of magnetic shielding values along the three Cartesian axes into contributions from s and p bonds by the natural chemical shieldingnatural bond orbital (NCSNBO) method revealed that their appearance is not a simple reflection of the extent of (anti)aromaticity.
PB  - Wiley-V C H Verlag Gmbh, Weinheim
T2  - Chemphyschem
T1  - Density Functional Calculations of the Anisotropic Effects of Borazine and 1,3,2,4-Diazadiboretidine
VL  - 13
IS  - 17
SP  - 3803
EP  - 3811
DO  - 10.1002/cphc.201200732
ER  - 

@article{
author = "Baranac-Stojanović, Marija and Koch, Andreas and Kleinpeter, Erich",
year = "2012",
abstract = "On the basis of the nucleus-independent chemical shift (NICS) concept, the anisotropic effects of two inorganic rings, namely, borazine and planar 1,3,2,4-diazadiboretidine, are quantitatively calculated and visualized as isochemical shielding surfaces (ICSSs). Dissection of magnetic shielding values along the three Cartesian axes into contributions from s and p bonds by the natural chemical shieldingnatural bond orbital (NCSNBO) method revealed that their appearance is not a simple reflection of the extent of (anti)aromaticity.",
publisher = "Wiley-V C H Verlag Gmbh, Weinheim",
journal = "Chemphyschem",
title = "Density Functional Calculations of the Anisotropic Effects of Borazine and 1,3,2,4-Diazadiboretidine",
volume = "13",
number = "17",
pages = "3803-3811",
doi = "10.1002/cphc.201200732"
}

Baranac-Stojanović, M., Koch, A.,& Kleinpeter, E.. (2012). Density Functional Calculations of the Anisotropic Effects of Borazine and 1,3,2,4-Diazadiboretidine. in Chemphyschem
Wiley-V C H Verlag Gmbh, Weinheim., 13(17), 3803-3811.
https://doi.org/10.1002/cphc.201200732

Baranac-Stojanović M, Koch A, Kleinpeter E. Density Functional Calculations of the Anisotropic Effects of Borazine and 1,3,2,4-Diazadiboretidine. in Chemphyschem. 2012;13(17):3803-3811.
doi:10.1002/cphc.201200732 .

Baranac-Stojanović, Marija, Koch, Andreas, Kleinpeter, Erich, "Density Functional Calculations of the Anisotropic Effects of Borazine and 1,3,2,4-Diazadiboretidine" in Chemphyschem, 13, no. 17 (2012):3803-3811,
https://doi.org/10.1002/cphc.201200732 . .

TY  - DATA
AU  - Stojanović, Milovan
AU  - Marković, Rade
AU  - Kleinpeter, Erich
AU  - Baranac-Stojanović, Marija
PY  - 2011
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/3644
PB  - Pergamon-Elsevier Science Ltd, Oxford
T2  - Tetrahedron
T1  - Supplementary data for article: Stojanović, M.; Marković, R.; Kleinpeter, E.; Baranac-Stojanović, M. Endo-Mode Cyclizations of Vinylogous N-Acyliminium Ions as a Route to the Synthesis of Condensed Thiazolidines. Tetrahedron 2011, 67 (49), 9541–9554. https://doi.org/10.1016/j.tet.2011.10.011
UR  - https://hdl.handle.net/21.15107/rcub_cherry_3644
ER  - 

@misc{
author = "Stojanović, Milovan and Marković, Rade and Kleinpeter, Erich and Baranac-Stojanović, Marija",
year = "2011",
publisher = "Pergamon-Elsevier Science Ltd, Oxford",
journal = "Tetrahedron",
title = "Supplementary data for article: Stojanović, M.; Marković, R.; Kleinpeter, E.; Baranac-Stojanović, M. Endo-Mode Cyclizations of Vinylogous N-Acyliminium Ions as a Route to the Synthesis of Condensed Thiazolidines. Tetrahedron 2011, 67 (49), 9541–9554. https://doi.org/10.1016/j.tet.2011.10.011",
url = "https://hdl.handle.net/21.15107/rcub_cherry_3644"
}

Stojanović, M., Marković, R., Kleinpeter, E.,& Baranac-Stojanović, M.. (2011). Supplementary data for article: Stojanović, M.; Marković, R.; Kleinpeter, E.; Baranac-Stojanović, M. Endo-Mode Cyclizations of Vinylogous N-Acyliminium Ions as a Route to the Synthesis of Condensed Thiazolidines. Tetrahedron 2011, 67 (49), 9541–9554. https://doi.org/10.1016/j.tet.2011.10.011. in Tetrahedron
Pergamon-Elsevier Science Ltd, Oxford..
https://hdl.handle.net/21.15107/rcub_cherry_3644

Stojanović M, Marković R, Kleinpeter E, Baranac-Stojanović M. Supplementary data for article: Stojanović, M.; Marković, R.; Kleinpeter, E.; Baranac-Stojanović, M. Endo-Mode Cyclizations of Vinylogous N-Acyliminium Ions as a Route to the Synthesis of Condensed Thiazolidines. Tetrahedron 2011, 67 (49), 9541–9554. https://doi.org/10.1016/j.tet.2011.10.011. in Tetrahedron. 2011;.
https://hdl.handle.net/21.15107/rcub_cherry_3644 .

Stojanović, Milovan, Marković, Rade, Kleinpeter, Erich, Baranac-Stojanović, Marija, "Supplementary data for article: Stojanović, M.; Marković, R.; Kleinpeter, E.; Baranac-Stojanović, M. Endo-Mode Cyclizations of Vinylogous N-Acyliminium Ions as a Route to the Synthesis of Condensed Thiazolidines. Tetrahedron 2011, 67 (49), 9541–9554. https://doi.org/10.1016/j.tet.2011.10.011" in Tetrahedron (2011),
https://hdl.handle.net/21.15107/rcub_cherry_3644 .

TY  - JOUR
AU  - Stojanović, Milovan
AU  - Marković, Rade
AU  - Kleinpeter, Erich
AU  - Baranac-Stojanović, Marija
PY  - 2011
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/1226
AB  - endo-Mode cyclizations of vinylogous N-acyliminium ions incorporating heteroatom-based nucleophiles have been examined as a route to the synthesis of condensed thiazolidines. The scope of these reactions and stereochemical outcome are discussed and explained using quantum chemical calculations.
PB  - Pergamon-Elsevier Science Ltd, Oxford
T2  - Tetrahedron
T1  - endo-Mode cyclizations of vinylogous N-acyliminium ions as a route to the synthesis of condensed thiazolidines
VL  - 67
IS  - 49
SP  - 9541
EP  - 9554
DO  - 10.1016/j.tet.2011.10.011
ER  - 

@article{
author = "Stojanović, Milovan and Marković, Rade and Kleinpeter, Erich and Baranac-Stojanović, Marija",
year = "2011",
abstract = "endo-Mode cyclizations of vinylogous N-acyliminium ions incorporating heteroatom-based nucleophiles have been examined as a route to the synthesis of condensed thiazolidines. The scope of these reactions and stereochemical outcome are discussed and explained using quantum chemical calculations.",
publisher = "Pergamon-Elsevier Science Ltd, Oxford",
journal = "Tetrahedron",
title = "endo-Mode cyclizations of vinylogous N-acyliminium ions as a route to the synthesis of condensed thiazolidines",
volume = "67",
number = "49",
pages = "9541-9554",
doi = "10.1016/j.tet.2011.10.011"
}

Stojanović, M., Marković, R., Kleinpeter, E.,& Baranac-Stojanović, M.. (2011). endo-Mode cyclizations of vinylogous N-acyliminium ions as a route to the synthesis of condensed thiazolidines. in Tetrahedron
Pergamon-Elsevier Science Ltd, Oxford., 67(49), 9541-9554.
https://doi.org/10.1016/j.tet.2011.10.011

Stojanović M, Marković R, Kleinpeter E, Baranac-Stojanović M. endo-Mode cyclizations of vinylogous N-acyliminium ions as a route to the synthesis of condensed thiazolidines. in Tetrahedron. 2011;67(49):9541-9554.
doi:10.1016/j.tet.2011.10.011 .

Stojanović, Milovan, Marković, Rade, Kleinpeter, Erich, Baranac-Stojanović, Marija, "endo-Mode cyclizations of vinylogous N-acyliminium ions as a route to the synthesis of condensed thiazolidines" in Tetrahedron, 67, no. 49 (2011):9541-9554,
https://doi.org/10.1016/j.tet.2011.10.011 . .

TY  - JOUR
AU  - Baranac-Stojanović, Marija
AU  - Klaumuenzer, Ute
AU  - Marković, Rade
AU  - Kleinpeter, Erich
PY  - 2010
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/1135
AB  - Structures of a series of push-pull 2-alkylidene-4-thiazolidinones and 2-alkylidene-4,5-fused bicyclic thiazolidine derivatives were optimized at the B3LYP/6-31G(d) level of theory in the gas phase and discussed with respect to configurational and conformational stability. Employing the GIAO method, C-13 NMR chemical shifts of the C-2, C-2', C-4 and C-5 atoms were calculated at the same level of theory in the gas phase and with inclusion of solvent, and compared with experimental data. Push-pull effect of all compounds was quantified by means of the quotient pi*/pi, length of the partial double bond, C-13 NMR chemical shift difference (Delta delta(C=C)) and H-1 NMR chemical shifts of olefinic protons. The effect of bromine on donating and accepting ability of other substituents of the push-pull C=C double bond is discussed, too. (C) 2010 Elsevier Ltd. All rights reserved.
PB  - Pergamon-Elsevier Science Ltd, Oxford
T2  - Tetrahedron
T1  - Structure, configuration, conformation and quantification of the push pull-effect of 2-alkylidene-4-thiazolidinones and 2-alkylidene-4,5-fused bicyclic thiazolidine derivatives
VL  - 66
IS  - 46
SP  - 8958
EP  - 8967
DO  - 10.1016/j.tet.2010.09.040
ER  - 

@article{
author = "Baranac-Stojanović, Marija and Klaumuenzer, Ute and Marković, Rade and Kleinpeter, Erich",
year = "2010",
abstract = "Structures of a series of push-pull 2-alkylidene-4-thiazolidinones and 2-alkylidene-4,5-fused bicyclic thiazolidine derivatives were optimized at the B3LYP/6-31G(d) level of theory in the gas phase and discussed with respect to configurational and conformational stability. Employing the GIAO method, C-13 NMR chemical shifts of the C-2, C-2', C-4 and C-5 atoms were calculated at the same level of theory in the gas phase and with inclusion of solvent, and compared with experimental data. Push-pull effect of all compounds was quantified by means of the quotient pi*/pi, length of the partial double bond, C-13 NMR chemical shift difference (Delta delta(C=C)) and H-1 NMR chemical shifts of olefinic protons. The effect of bromine on donating and accepting ability of other substituents of the push-pull C=C double bond is discussed, too. (C) 2010 Elsevier Ltd. All rights reserved.",
publisher = "Pergamon-Elsevier Science Ltd, Oxford",
journal = "Tetrahedron",
title = "Structure, configuration, conformation and quantification of the push pull-effect of 2-alkylidene-4-thiazolidinones and 2-alkylidene-4,5-fused bicyclic thiazolidine derivatives",
volume = "66",
number = "46",
pages = "8958-8967",
doi = "10.1016/j.tet.2010.09.040"
}

Baranac-Stojanović, M., Klaumuenzer, U., Marković, R.,& Kleinpeter, E.. (2010). Structure, configuration, conformation and quantification of the push pull-effect of 2-alkylidene-4-thiazolidinones and 2-alkylidene-4,5-fused bicyclic thiazolidine derivatives. in Tetrahedron
Pergamon-Elsevier Science Ltd, Oxford., 66(46), 8958-8967.
https://doi.org/10.1016/j.tet.2010.09.040

Baranac-Stojanović M, Klaumuenzer U, Marković R, Kleinpeter E. Structure, configuration, conformation and quantification of the push pull-effect of 2-alkylidene-4-thiazolidinones and 2-alkylidene-4,5-fused bicyclic thiazolidine derivatives. in Tetrahedron. 2010;66(46):8958-8967.
doi:10.1016/j.tet.2010.09.040 .

Baranac-Stojanović, Marija, Klaumuenzer, Ute, Marković, Rade, Kleinpeter, Erich, "Structure, configuration, conformation and quantification of the push pull-effect of 2-alkylidene-4-thiazolidinones and 2-alkylidene-4,5-fused bicyclic thiazolidine derivatives" in Tetrahedron, 66, no. 46 (2010):8958-8967,
https://doi.org/10.1016/j.tet.2010.09.040 . .

TY  - JOUR
AU  - Baranac-Stojanović, Marija
AU  - Tatar, Jovana
AU  - Kleinpeter, Erich
AU  - Marković, Rade
PY  - 2008
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/955
AB  - A new series of unsubstituted and substituted pyridinium salts bearing a 4-oxothiazolidinyl moiety has been prepared by an efficient rearrangement of 2-(I-bromoalkylidene)thiazolidin-4ones. The process is based on three steps, namely carbon-bromine cleavage, bromine transfer, and substitution, each induced by pyridine or its derivatives, acting as base and reactant.
PB  - Georg Thieme Verlag Kg, Stuttgart
T2  - Synthesis, Stuttgart
T1  - High-yield synthesis of substituted and unsubstituted pyridinium salts containing a 4-oxothiazolidine moiety
IS  - 13
SP  - 2117
EP  - 2121
DO  - 10.1055/s-2008-1067113
ER  - 

@article{
author = "Baranac-Stojanović, Marija and Tatar, Jovana and Kleinpeter, Erich and Marković, Rade",
year = "2008",
abstract = "A new series of unsubstituted and substituted pyridinium salts bearing a 4-oxothiazolidinyl moiety has been prepared by an efficient rearrangement of 2-(I-bromoalkylidene)thiazolidin-4ones. The process is based on three steps, namely carbon-bromine cleavage, bromine transfer, and substitution, each induced by pyridine or its derivatives, acting as base and reactant.",
publisher = "Georg Thieme Verlag Kg, Stuttgart",
journal = "Synthesis, Stuttgart",
title = "High-yield synthesis of substituted and unsubstituted pyridinium salts containing a 4-oxothiazolidine moiety",
number = "13",
pages = "2117-2121",
doi = "10.1055/s-2008-1067113"
}

Baranac-Stojanović, M., Tatar, J., Kleinpeter, E.,& Marković, R.. (2008). High-yield synthesis of substituted and unsubstituted pyridinium salts containing a 4-oxothiazolidine moiety. in Synthesis, Stuttgart
Georg Thieme Verlag Kg, Stuttgart.(13), 2117-2121.
https://doi.org/10.1055/s-2008-1067113

Baranac-Stojanović M, Tatar J, Kleinpeter E, Marković R. High-yield synthesis of substituted and unsubstituted pyridinium salts containing a 4-oxothiazolidine moiety. in Synthesis, Stuttgart. 2008;(13):2117-2121.
doi:10.1055/s-2008-1067113 .

Baranac-Stojanović, Marija, Tatar, Jovana, Kleinpeter, Erich, Marković, Rade, "High-yield synthesis of substituted and unsubstituted pyridinium salts containing a 4-oxothiazolidine moiety" in Synthesis, Stuttgart, no. 13 (2008):2117-2121,
https://doi.org/10.1055/s-2008-1067113 . .