Zobrazeno 1 - 10
of 56
pro vyhledávání: '"Vadim M. Volokhov"'
Autor:
Anatoly G. Korepin, Natalia M. Glushakova, David B. Lempert, Anatoly I. Kazakov, Gennady V. Shilov, Denis V. Korchagin, Vadim M. Volokhov, Elena S. Amosova, Sergey M. Aldoshin
Publikováno v:
Defence Technology, Vol 18, Iss 7, Pp 1148-1155 (2022)
The work addresses to the study of the molecular and crystal structure and properties of a new energy-intensive compound 3,6-bis(2,2,2-trinitroethylnitramino)-1,2,4,5-tetrazine (NBTAT), first obtained by the authors in 2020. NBTAT compound crystalliz
Externí odkaz:
https://doaj.org/article/602d791ef5794931845b9a758702f583
Autor:
Elena S. Amosova, Anatoly G. Korepin, Denis V. Korchagin, Sergey M. Aldoshin, David B. Lempert, Natalia M. Glushakova, A. I. Kazakov, Gennady V. Shilov, Vadim M. Volokhov
Publikováno v:
Defence Technology. 18:1148-1155
The work addresses to the study of the molecular and crystal structure and properties of a new energy-intensive compound 3,6-bis(2,2,2-trinitroethylnitramino)-1,2,4,5-tetrazine (NBTAT), first obtained by the authors in 2020. NBTAT compound crystalliz
Autor:
Vadim M. Volokhov, Leonid V. Poluyanov
Publikováno v:
Russian Journal of Physical Chemistry B. 15:205-211
A two-electron model that describes the singlet-triplet interaction of the 1Σ+ and 3Π states in linear triatomic molecules is proposed in this study. The analysis is based on the consideration of the spin-orbital coupling in an electronic Hamiltoni
Autor:
Tatyana S. Zyubina, David B. Lempert, Elena S. Amosova, A. V. Volokhov, L. S. Yanovskii, Vadim M. Volokhov, Dmitry A. Varlamov
Publikováno v:
Russian Journal of Inorganic Chemistry. 66:78-88
DFT calculations at the B3LYP/6-311+G(2d,p) level and combined G4(MP2) and G4 methods within the GAUSSIAN-09 software package have been used to evaluate the standard enthalpies of formation of species in the gas phase (kJ/kg): C4N8O6 (2854.0), C4HN7O
Autor:
A. V. Volokhov, Dmitry A. Varlamov, Elena S. Amosova, L. S. Yanovskii, Tatyana S. Zyubina, Vadim M. Volokhov, David B. Lempert
Publikováno v:
Russian Journal of Physical Chemistry B. 15:12-24
Currently, new approaches are being actively developed to obtain promising new generation rocket fuels that meet the strict requirements set on the energy content of their components. One such approach is a computer design of new substances, as a rul
Autor:
I. N. Zyuzin, Vadim M. Volokhov, Elena S. Amosova, Tatyana S. Zyubina, David B. Lempert, A. V. Volokhov, A. I. Kazakov, L. S. Yanovskii
Publikováno v:
Russian Journal of Applied Chemistry. 93:1852-1867
In recent decades, the chemistry of rocket propellants has been actively developing in the direction of searching for new high enthalpy polynitrogen compounds, since their use can provide higher energy characteristics of propellants, explosive compos
Autor:
Leonid V. Poluyanov, Vadim M. Volokhov
Publikováno v:
Russian Journal of Physical Chemistry B. 14:565-570
The paper considers the relativistic Renner effect 4Π × π, which occurs in linear triatomic molecules containing heavy atoms. The vibronic matrix is calculated in the three-electron model. The electronic Hamiltonian is expanded in a Taylor series
Autor:
Tatyana S. Zyubina, A. S. Zyubin, E. A. Sanginov, V. V. Klyucharev, Vadim M. Volokhov, N. G. Bukun, Yu. A. Dobrovol’skii
Publikováno v:
Russian Journal of Inorganic Chemistry. 65:378-389
The first theoretical study of alkali-metal ion transport in a polymeric inorganic electrolyte based on a dimethyl sulfoxide-plasticized Nafion membrane is reported. The structure and intermolecular interactions in XNafion · nDMSO (X = Li, Na, K, Rb
Autor:
Vadim M. Volokhov, Leonid V. Poluyanov
Publikováno v:
Russian Journal of Physical Chemistry B. 14:227-234
A two-electron model describing vibronic and spin-orbit couplings of 3Π and 3Σ+ electronic states in linear triatomic molecules is proposed. The analysis is based on the use of an ab initio Breit–Pauli form of the spin-orbit coupling operator. El
Autor:
L. V. Poluyanov, Vadim M. Volokhov
Publikováno v:
Russian Journal of Physical Chemistry B. 12:943-949
The paper considers the relativistic multimode Jahn–Teller effect 2Eu × (b1g + b2g + eu) for square molecular complexes with a heavy central atom and an odd number of electrons. All the 32 elements of the double symmetry group D′4h, are determin