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Articles by keyword DFT
Features of discrete Fourier transform
D.B. Rozhdestvensky
The correspondence between IR spectra of valence Si-H vibrations and structure of the (SiH)X groups, Х = 1 - 3, in the cages of microcrystalline hydrogenated silicon
А. V. Larin - Leading Research Scientist, Department of Chemistry, Lomonosov Moscow State University. E-mail: nasgo@yandex.ru, 916-486-4660
A. A. Rybakov - Junior Research Scientist, Department of Chemistry, Lomonosov Moscow State University. E-mail: rybakovy@gmail.com
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)