Zobrazeno 1 - 4
of 4
pro vyhledávání: '"I. L. Zaitseva"'
Autor:
Nadezhda M. Vitkovskaya, I. L. Zaitseva, E. Yu. Larionova, Boris A. Trofimov, Vladimir B. Kobychev
Publikováno v:
Journal of Structural Chemistry. 50:18-26
Within the ab initio approach and with the use of density functional theory the formation of solvation shells of nondissociated alkali metals hydroxides of the corresponding cations and the hydroxide ion in dimethyl sulfoxide (DMSO) is studied. Compl
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::3a13e2d7912faadc333de52bdb5ce3f7
https://doi.org/10.1007/s10947-009-0003-5
https://doi.org/10.1007/s10947-009-0003-5
Publikováno v:
Chemistry of Heterocyclic Compounds. 44:1101-1112
The ionization spectra of furan, pyrrole, thiophene, and selenophene have been calculated within the framework of the nonempirical quantum-chemical method with the Green's one-particle function in the approximation of the third order algebraic diagra
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::c3f1ab953c95d81f1d22c25398e48d77
https://doi.org/10.1007/s10593-008-0159-5
https://doi.org/10.1007/s10593-008-0159-5
Publikováno v:
Journal of Structural Chemistry. 45:940-944
The profiles of reactions leading to pyrrole anion N-adducts with CO2 and CS2 have been studied by the ab initio (RHF/6-31+G*, MP2/6-31+G*) and density functional (B3LYP/6-31+G*) methods. Addition of the pyrrole anion to the carbon disulfide molecule
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::4f3c95f938256d314ff662658dd54128
https://doi.org/10.1007/s10947-005-0083-9
https://doi.org/10.1007/s10947-005-0083-9
Autor:
E. Yu. Larionova, I. L. Zaitseva, Nadezhda M. Vitkovskaya, Vladimir B. Kobychev, Boris A. Trofimov
Publikováno v:
Journal of Structural Chemistry. 42:536-543
The structure and the relative stability of the N-, Cα-, and Cβ-anions of pyrrole, its mono- and dimethyl derivatives, and their adducts with carbon disulfide were studied by the ab initio method (MP2/6-31+G*//RHF/6-31+G*). The substituent effect o
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::bed44f7d549a115aa8466853dd21eb51
https://doi.org/10.1023/a:1013173321887
https://doi.org/10.1023/a:1013173321887