Zobrazeno 1 - 10
of 46
pro vyhledávání: '"V. M. Ryaboi"'
Publikováno v:
The Journal of Physical Chemistry. 95:5533-5540
A Diels-Alder condensation reaction in liquid phase under varying pressure conditions is modeled as a pair of coordinates, one associated with a chemical reactive motion and the other describing the accompanying contraction of the medium cavity which
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::21a4a6bf653b4c09309bfad6004a3f7d
https://doi.org/10.1021/j100167a032
https://doi.org/10.1021/j100167a032
Publikováno v:
The Journal of Physical Chemistry. 94:8734-8740
A chemical reaction proceeding in a continuum medium is modeled as a pair of stochastic equations with a δ-correlated random force. A numerical method for calculating the rate constant is elaborated in a quasi-one-dimensional approximation. Exact ra
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f3d915a0aca3e4729641e3ee1765b695
https://doi.org/10.1021/j100387a020
https://doi.org/10.1021/j100387a020
Autor:
V. M. Ryaboi, V. P. Bazov
Publikováno v:
Theoretical and Experimental Chemistry. 12:134-142
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::3d3ca92add0c8ac91adf35c9d4c0ffcc
https://doi.org/10.1007/bf00529708
https://doi.org/10.1007/bf00529708
Autor:
G. É. Chudinov, V. M. Ryaboi
Publikováno v:
Theoretical and Experimental Chemistry. 17:350-358
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::6b44240c29a63e7a9ed65446dc07b33b
https://doi.org/10.1007/bf00518437
https://doi.org/10.1007/bf00518437
Autor:
V. M. Ryaboi
Publikováno v:
Theoretical and Experimental Chemistry. 22:417-424
According to experimental data, gas-phase SN2 reactions have low efficiency characterized by the ratio k(T)/kc, where kc is the collision rate constant. The energy profile of the reaction pathway is a double-well curve, and the top of the central bar
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::975b9de24a328eda0a00bb3468992237
https://doi.org/10.1007/bf00523819
https://doi.org/10.1007/bf00523819
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
Autor:
V. P. Bazov, V. M. Ryaboi
Publikováno v:
Theoretical and Experimental Chemistry. 11:494-498
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::047ee0c20761ea8987e6f61c64b805b4
https://doi.org/10.1007/bf00524863
https://doi.org/10.1007/bf00524863
Publikováno v:
Theoretical and Experimental Chemistry. 21:247-257
A new method has been implemented for the quantum calculation of the dynamics of exchange reactions in systems with a large curvature of the reaction path — specifically, reactions with transfer of a light atom. The method is based on the use of a
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::fe76017539798b35512056697d32dbf2
https://doi.org/10.1007/bf00523984
https://doi.org/10.1007/bf00523984
Publikováno v:
Theoretical and Experimental Chemistry. 18:117-124
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::0d7e1cf807b050b6f6a58a6baf7b786f
https://doi.org/10.1007/bf00525818
https://doi.org/10.1007/bf00525818
Autor:
V. M. Ryaboi
Publikováno v:
Theoretical and Experimental Chemistry. 23:255-260
Nonempirical quantum-chemical calculations have been performed in the 4-31G basis on the equilibrium geometry and vibrational frequencies of difluorochloromethane, as well as on the transition state in the decomposition CHF2Cl→CF2+HCl. The potentia
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::bf6e02f2e420f467a6673d9a95637529
https://doi.org/10.1007/bf00531376
https://doi.org/10.1007/bf00531376