Zobrazeno 1 - 7
of 7
pro vyhledávání: '"M. B. Chura"'
Autor:
M. B. Chura, V. M. Bzhezovskii
Publikováno v:
Russian Journal of General Chemistry. 77:1780-1786
Potential functions of internal rotation around $$C_{sp^2 } - S$$ bonds in C6H5SO2Ch3 (I) and C6H5SO2CF3 (II) were obtained by ab initio MP2(full)/6-31+G* calculations. The revealed stationary points were identified by solving vibration problems. In
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::9b461360c577ee4b7bb0746dd7ce1fba
https://doi.org/10.1134/s1070363207100192
https://doi.org/10.1134/s1070363207100192
Publikováno v:
Russian Journal of General Chemistry. 76:366-375
The potential functions of internal rotation around the \(C_{sp^2 } \)-S bond in the compounds H2C= CHSO2CY3 (Y = H or F) were obtained; the stationary points were revealed and identified by solving vibrational problems [MP2(full)/6-31+G(d), B3PW91/6
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a27f0fa15a19ec6089204450ae193f0b
https://doi.org/10.1134/s1070363206030066
https://doi.org/10.1134/s1070363206030066
Publikováno v:
Russian Journal of General Chemistry. 76:359-365
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::78dc44f655c6072544eb7149481e9f63
https://doi.org/10.1134/s1070363206030054
https://doi.org/10.1134/s1070363206030054
Publikováno v:
Russian Journal of General Chemistry. 74:1697-1701
The compounds HC≡CXMe (X = O, S, Se) were studied by the MP2(full)/6-31G* ab initio method using the method of natural bond orbitals. The parameters of the molecular geometry were obtained. The electron density distribution in these compounds is de
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::71c302f233ed6048a06dff9226879fc1
https://doi.org/10.1007/s11176-005-0085-5
https://doi.org/10.1007/s11176-005-0085-5
Autor:
E. G. Kapustin, L. M. Yagupolskii, N. N. Ilchenko, Leonid Gorb, Jerzy Leszczynski, M. B. Chura, V. M. Bzhezovsky
Publikováno v:
Structural Chemistry. 15:527-538
The potential functions of internal rotation about the C2 sp—S bonds for C6H5XCY3 species (X = SO or SO2, Y = H or F) have been obtained at the MP2 (full)/6-31+G(d) level of ab initio theory. It is found that the spatial structures with the plane o
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::8d5c0b44c4646289265b2299ae73bbab
https://doi.org/10.1023/b:stuc.0000037911.19038.4a
https://doi.org/10.1023/b:stuc.0000037911.19038.4a
Publikováno v:
ChemInform. 34
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::55340dbaffa0279a3a18349a864fb319
https://doi.org/10.1002/chin.200326176
https://doi.org/10.1002/chin.200326176
Publikováno v:
Structural Chemistry; Oct2004, Vol. 15 Issue 5, p527-538, 12p