Zobrazeno 1 - 10
of 27
pro vyhledávání: '"M. V. Bazilevskii"'
Publikováno v:
High Energy Chemistry. 44:376-382
A model describing the effect of counterion X− (X = Cl, I) on the deactivation kinetics of the S1 state of thiacarbocyanine Cy+X− is presented. According to the model, the ion pair Cy+X− in a binary solution is characterized by a distribution f
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2015346dc4a089bc3fe5ebb776378cdd
https://doi.org/10.1134/s0018143910050048
https://doi.org/10.1134/s0018143910050048
Publikováno v:
Russian Journal of Physical Chemistry. 82:517-525
The Gibbs energy Δcav G of formation of cavities in water was calculated by thermodynamic integration. The cavities corresponded to organic molecules of various volumes and shapes with characteristic radii of 3–7 A and spheres of radii 3–6 A. St
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a333ae4c3025064b7438e4c908729a37
https://doi.org/10.1134/s003602440804002x
https://doi.org/10.1134/s003602440804002x
Publikováno v:
Russian Journal of Physical Chemistry A. 81:291-296
The dynamics of the fluorene molecular crystal lattice is calculated by the atom-atom potential method. The fundamental lattice vibration frequencies are determined, their assignment is made, and shapes of the vibrations are studied over a pressure r
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::6d856c771a021facec14f5de12cebdc2
https://doi.org/10.1134/s0036024407020240
https://doi.org/10.1134/s0036024407020240
Autor:
M. V. Bazilevskii, V. A. Tikhomirov
Publikováno v:
Russian Journal of Physical Chemistry. 81:116-128
The rate constant for the tunneling bimolecular reaction of hydrogen atom transfer in the condensed phase was calculated. For the fluorene-acridine (T1) system embedded into a fluorene molecular crystal, two-dimensional tunneling amplitudes were dete
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::491440a8331711fb2b69732dc55245d7
https://doi.org/10.1134/s0036024407010220
https://doi.org/10.1134/s0036024407010220
Publikováno v:
Theoretical and Experimental Chemistry. 23:359-367
A previously proposed semiempirical method has been developed for calculating the molecular electron structures and geometries, which explicitly incorporates AOnonorthogonality. The integrals are parametrized in an atomic basis, and then a transfer i
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::5dcb94fe67a6caeba445bdf9bfa2910e
https://doi.org/10.1007/bf00536351
https://doi.org/10.1007/bf00536351
Publikováno v:
Journal of Structural Chemistry. 23:34-41
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f247d989254376cf79e7558f8e13e881
https://doi.org/10.1007/bf00750878
https://doi.org/10.1007/bf00750878
Autor:
A. V. Dzyabchenko, M. V. Bazilevskii
Publikováno v:
Journal of Structural Chemistry. 26:558-564
A calculation has been performed for the transition states of the benzene crystal corresponding to two saddle points on the potential surface, in the region responsible for the polymorphic transformation of orthorhombic benzene to a hypothetical mono
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::33bbe6f870d539d27c166478bae83de3
https://doi.org/10.1007/bf00754129
https://doi.org/10.1007/bf00754129
Autor:
A. V. Dzyabchenko, M. V. Bazilevskii
Publikováno v:
Journal of Structural Chemistry. 26:553-558
A calculation in the atom-atom approximation has been performed to determine the optimal packing of crystalline benzene, depending on the hydrostatic pressure. It has been found that at pressures P > 2.2 kbar, orthorhombic benzene I is metastable rel
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::0fa50d3f64dab19daed3a9d6f246ff43
https://doi.org/10.1007/bf00754128
https://doi.org/10.1007/bf00754128
Publikováno v:
Theoretical and Experimental Chemistry. 14:120-125
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7345561b711be52c2b8de67aa6b608b7
https://doi.org/10.1007/bf00518058
https://doi.org/10.1007/bf00518058
Autor:
M. V. Bazilevskii, V. M. Ryaboi
Publikováno v:
Theoretical and Experimental Chemistry. 16:344-351
The method described for constructing a curvilinear coordinate system makes it possible to investigate the dynamics of chemical reactions involving the exchange of a light atom, when the curvature of the reaction path (the reference curve) is great,
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::248de656f20d08cf2542b52ed60cb7b6
https://doi.org/10.1007/bf00526300
https://doi.org/10.1007/bf00526300