Zobrazeno 1 - 2
of 2
pro vyhledávání: '"S. V. Chepurnov"'
Autor:
V. A. Babkin, D. S. Andreev, E. S. Titova, S. V. Chepurnov, R. O. Boldyrev, V. S. Belousova, A. I. Rakhimov, N. G. Lebedev
Publikováno v:
IZVESTIA VOLGOGRAD STATE TECHNICAL UNIVERSITY. :35-39
For the first time, the geometric and electronic structure of graphene oxide was calculated within the framework of the Hoffman and Ress models by the quantum-chemical method MNDO. Optimized structures of this compound are obtained. The acidic streng
Autor:
R. O. Boldyrev, A. P. Knyazev, S. G. Kachatryan, V. T. Fomichev, V. S. Belousova, A. I. Rakhimov, V. A. Babkin, E. S. Titova, D. S. Andreev, S. V. Chepurnov
Publikováno v:
IZVESTIA VOLGOGRAD STATE TECHNICAL UNIVERSITY. :22-26
Using the classical semi-empirical quantum-chemical method МNDO, for the first time the calculation of graphene oxide molecules was performed within the framework of the Nakajima-Matsuo and Lerf-Klinovsky models. The acidic strength of these models