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Articles by keyword quantum chemistry
The method of defining the first adiabatic ionization potentials of the nitrogen-containing compounds molecules by analysis of electronic absorption spectra
M.Yu. Dolomatov, K.F. Latypov
On the accuracy of «Divide-and-Conquer» algorithm in application to problems of electronic structure calculation of graphen and its analogs by quantum-chemical methods
V.G. Maslov, A.I. Svitenkov
Applications of computational quantum chemistry methods for investigations of heterogeneous catalytic reactions of conversion of organic substrates

D.E. Zavelev1, M.V. Tsodikov2

1,2 A.V. Topchiev Institute of Petrochemical Synthesis of RAS (Moscow, Russia)