ЯМР СПЕКТРАЛЬНІ ПАРАМЕТРИ СИСТЕМ НА ОСНОВІ АРОМАТИЧНИХ ПОЛІАМІДІВ: КВАНТОВО-ХІМІЧНА ІНТЕРПРЕТАЦІЯ СОЛЬВАТАЦІЙНИХ ЕФЕКТІВ СЕРЕДОВИЩА

Autor: Tokar, Andrey V., Chigvintseva, Olga P.

Publikováno v: Journal of Chemistry and Technologies; Том 30 № 3 (2022): Journal of Chemistry and Technologies; 349-354
Journal of Chemistry and Technologies; Vol. 30 No. 3 (2022): Journal of Chemistry and Technologies; 349-354

Using the ab initio methods of quantum chemistry a detailed theoretical investigation for the basic parameters of proton magnetic resonance spectra has been carried out using the example of N-phenylbenzamide, which plays the role of a prototype for a

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=issn2306871X::e6e967fa3848dacc268c9ec50c40430f
http://chemistry.dnu.dp.ua/article/view/262860

THE QUANTUM-CHEMICAL INVESTIGATION OF INTERMOLECULAR INTERACTIONS IN COMPLEX SYSTEMS «POLYAMIDE-SILICA GEL»

Autor: Oleh S. Kabat, Andrey V. Tokar

Publikováno v: Journal of Chemistry and Technologies; Том 28, № 2 (2020): Journal of Chemistry and Technologies; 194-201

The paper presents the results of quantum-chemical studies of polymer composite materials based on aromatic polyamide phenylon C1 filled with silica gel. Structural models of initial compounds with indication of charges on atoms and interatomic dista

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b8a42ce63e00ff0d1fce5d5d64e6c096
https://doi.org/10.15421/082021

RECIPROCAL Cs3Sb2Br9+Cs2TeI6  Cs3Sb2I9+Cs2TeBr6 SYSTEM: PHASE EQUILIBRIA, ELECTRONIC STRUCTURE AND OPTICAL PROPERTIES OF INTERMEDIATES COMPOUNDS

Autor: Barchiy, I. E., Zubaka, O. V., Stercho, I. P., Kokhan, O. P., Pogodin, A. I., Peresh, E. Yu., Fedorchuk, A. O., Shpenyk, O. O., Molnar, O. B.

Publikováno v: Науковий вісник Ужгородського університету. Серія "Хімія"; Том 2, № 44 (2020); 5-18
Scientific Bulletin of the Uzhhorod University. Series «Chemistry»; Том 2, № 44 (2020); 5-18

Cs- and Rb-containing halide double perovskites of A2B1B2X6 type and vacant-ordered perovskites of A2B□X6 type (where □ vacancy) are potential compounds for photovoltaic materials.Phase equilibria in the reciprocal Cs3Sb2Br9–Cs2TeI6 « Cs3Sb2I9

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=scientific_p::d320b86c58d25b6541074bed3df3a1d2
http://visnyk-khim.uzhnu.edu.ua/article/view/220473

The quantum-chemical investigation of structure and spectral characteristics for molecular complexes in systems «polyarylate-terlon» and «penton-terlon»: a comparative analysis

Autor: Tokar, Andrey V., Chigvintseva, Olga P.

Publikováno v: Vìsnik Dnìpropetrovsʹkogo Unìversitetu: Serìâ Hìmìâ, Vol 23, Iss 1, Pp 16-20 (2015)
Bulletin of Dnipropetrovsk University. Series Chemistry; Vol 23, No 1 (2015): Bulletin of Dnipropetrovsk University. Series Chemistry; 16-20
Вестник Днепропетровского университета. Серия химия; Vol 23, No 1 (2015): Bulletin of Dnipropetrovsk University. Series Chemistry; 16-20
Вісник Дніпропетровського університету. Серія хімія; Vol 23, No 1 (2015): Bulletin of Dnipropetrovsk University. Series Chemistry; 16-20

В приближении DFT-B3LYP/6-311++G(d,p) исследованы структурные и энергетические параметры молекулярных комплексов фенилбензоата с N-фенилбензами�

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::618a04fa4265e87518bb4fca8294ac7e
http://chemistry.dnu.dp.ua/article/view/37224

The quantum-chemical investigation of structure and spectral characteristics for molecular complexes in systems «polyarylate-terlon» and «penton-terlon»: a comparative analysis

Autor: Tokar, Andrey V., Chigvintseva, Olga P.

Publikováno v: Journal of Chemistry and Technologies; Том 23, № 1 (2015): Bulletin of Dnipropetrovsk University. Series Chemistry; 16-20
Journal of Chemistry and Technologies; Том 23, № 1 (2015): Вестник Днепропетровского университета. Серия химия; 16-20
Journal of Chemistry and Technologies; Том 23, № 1 (2015): Вісник Дніпропетровського університету. Серія хімія; 16-20

В приближении DFT-B3LYP/6-311++G(d,p) исследованы структурные и энергетические параметры молекулярных комплексов фенилбензоата с N-фенилбензами�

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=scientific_p::7918dc7aa7e83ee0789a32c1a81f4be0
http://chemistry.dnu.dp.ua/article/view/081503