Zobrazeno 1 - 6
of 6
pro vyhledávání: '"D. V. Levchenkov"'
Publikováno v:
Russian Chemical Bulletin. 51:1071-1074
The mercury derivatives of primary nitramines were proved by molecular spectroscopy and quantum-chemical calculations to be covalent compounds. The mercury atom was found to be coordinated to the amine nitrogen atom.
Autor:
V. A. Shlyapochnikov, D. V. Levchenkov
Publikováno v:
Journal of Applied Spectroscopy. 68:9-13
Using a specific numerical example, we consider and discuss a problem of correction of quantum–chemical force fields because of the ambiguous selection of the systems of scaling factors. Additional conditions are suggested that make it possible to
Publikováno v:
Russian Chemical Bulletin. 50:1173-1180
Spectroscopic parameters of trinitromethane derivatives RC(NO2)3 (R = F, Cl, Br, I, NC, NF2, N3) were determined. Vibrational frequencies and modes were calculated and the assignment of experimental spectra was performed. Spectral features due to the
Autor:
D. V. Levchenkov
Publikováno v:
Computational Mathematics and Modeling. 12:65-72
Numerical methods are applied to calculate the characteristics of ruin games with large prizes. Discovery of relationships between the characteristics substantially simplifies the calculations. An effective algorithm is proposed for solving the probl
Publikováno v:
Russian Chemical Bulletin. 50:385-389
The molecular structures of trinitromethane derivatives XC(NO2)3 (X = F, Cl, Br, NC, NF2, N3) were studied using the density functional approach. The rules for changing the configurations of substituents in these compounds were revealed. Acceptabilit
Autor:
V. S. Levchenkov, D. V. Levchenkov
Publikováno v:
Computational Mathematics and Modeling. 11:312-320
The article examines the problem of describing the symmetry of a one-dimensional figure by power sums of the coordinates of its points. In case ofn points of unit mass, the figure symmetry requires [(n+1)/2] values of odd power sums; in case of massi