Zobrazeno 1 - 10
of 13
pro vyhledávání: '"E. A. Mamin"'
Autor:
P. R. Petrova, Inna P. Tsypysheva, Svetlana V. Osintseva, A. V. Koval’skaya, Alexander F. Smol'yakov, E. A. Mamin
Publikováno v:
Russian Chemical Bulletin. 69:148-157
The crystal packings of mono- (1) and dinitro derivatives (3) of methylcytizine are analyzed in terms of combined geometric and energy approaches and based on the evaluation of the degree of molecular deformation (a decrease in the molecular volume)
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::30d82e5384d9e24d4951b36f0e0c5de8
https://doi.org/10.1007/s11172-020-2736-4
https://doi.org/10.1007/s11172-020-2736-4
Publikováno v:
Polymer Science, Series D. 12:142-146
Lactam-containing molecular complexes consisting of components that affect the viability and adhesive properties of elastomeric adhesives are considered. The advantages of using such complexes as compared with the introduction of their components sep
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e4ef590420e68ca6724eb12c33fbf47f
https://doi.org/10.1134/s1995421219020199
https://doi.org/10.1134/s1995421219020199
Publikováno v:
Polymer Science, Series D. 11:117-121
The conformations of the e-caprolactam molecule were calculated using a software package, and three of its conformers were established. It is shown that the conformational change of molecules creates the prerequisites for organizing the nearest conta
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a363a0ac5911c3076fa7d960ab9843e8
https://doi.org/10.1134/s1995421218020156
https://doi.org/10.1134/s1995421218020156
Publikováno v:
Russian Journal of Physical Chemistry B. 12:300-307
The thermal decomposition of polyethylene and butadiene rubber chains in the presence of a tensile force acting along the axis of the molecule was simulated. The reaction of an isolated chain was considered. The chain models were the octane and 2,6-o
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::3fb7cbc37ec25df366e7ef415718db5b
https://doi.org/10.1134/s1990793118020185
https://doi.org/10.1134/s1990793118020185
Publikováno v:
Kinetics and Catalysis. 58:9-14
The reactions of some acceptors (∙CH3, ∙OOH, ∙CCl3, O3, and Br∙) with saturated cyclic hydrocarbons, viz., cyclohexane, cycloheptane, and cyclooctane were studied by the DFT methods based on B3LYP and PBE0 functionals, the method based on the
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::15c7d15719c0ab1f676be694f10deea3
https://doi.org/10.1134/s0023158417010050
https://doi.org/10.1134/s0023158417010050
Publikováno v:
AIP Conference Proceedings.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::eceec6230a17187a87578da9ccd02d47
https://doi.org/10.1063/1.5083430
https://doi.org/10.1063/1.5083430
Publikováno v:
Kinetics and Catalysis. 56:76-83
Quantum chemical calculations have been carried out for the ozonolysis of monofluoro-, monochloro-, 1,1-difluoro-, and 1,1-dichloroethylene using the aug-cc-pVDZ basis set by the B2PLYP (B2LYP-D) double-hybrid method involving the Moller-Plesset pert
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f3630ee76f09759dc0c7f1b617c96455
https://doi.org/10.1134/s0023158415010085
https://doi.org/10.1134/s0023158415010085
Publikováno v:
Kinetics and Catalysis. 54:290-296
The primary step of acetylene ozonation was studied by the B1LYP, PBE0, CASSCF, MRMP2, and CCSD methods using the 6-31+G**, aug-cc-pVDZ, cc-pVTZ, and aug-cc-pVTZ basis sets. The study confirmed the earlier B3LYP-based conclusions that the intermediat
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f71276a824c1e13a3aa370780766953e
https://doi.org/10.1134/s0023158413030099
https://doi.org/10.1134/s0023158413030099
Publikováno v:
Russian Journal of Physical Chemistry B. 5:465-473
The reactivity of the strained C=C bond of the 1-chloroethylene molecule in the reaction with ozone was studied using ab initio (MP2, CASSCT, MRMP2) and DFT (B3LYP) calculations in conjunction with the 6–31+G** basis set. The mechanisms of concerte
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f3c716eab248e1a07065c4650db7491b
https://doi.org/10.1134/s1990793111030225
https://doi.org/10.1134/s1990793111030225
Publikováno v:
Russian Journal of Physical Chemistry B. 4:726-733
The UQCISD, UB3LYP, UMP2, and MRMP2 methods in conjunction with the 6-31+G**/6-311+G** and aug-cc-PVDZ basis sets are used to study the primary reaction of ozone with chlorinated ethylene derivatives: tetrachloroethylene, trichloroethylene, 1,2-trans
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a23cafb677455597d339ad62698d0ed4
https://doi.org/10.1134/s1990793110050064
https://doi.org/10.1134/s1990793110050064