Zobrazeno 1 - 10
of 37
pro vyhledávání: '"N. N. Weinberg"'
Autor:
N. N. Weinberg, M. V. Basilevsky
Publikováno v:
Canadian Journal of Physics. 73:267-272
A new approach to the microscopic description of high-pressure processes is formulated where the pressure effect on a chemical reaction system is represented by ah effective pressure-dependent potential of a compressed medium. The method is applied t
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::94e793a2a8324c5d1601be63af15a785
https://doi.org/10.1139/p95-038
https://doi.org/10.1139/p95-038
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:
N. N. Weinberg, M. V. Basilevsky
Publikováno v:
International Journal of Quantum Chemistry. 17:399-413
An attempt is made to refine the physical background underlying qualitative quantum-chemical concepts that are an essential component of the modern theory of chemical reactivity. The energy of electron delocalization in a transition state (stabilizat
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::af8a1eb15adf67f5d8d813831396cb6a
https://doi.org/10.1002/qua.560170303
https://doi.org/10.1002/qua.560170303
Publikováno v:
International Journal of Chemical Kinetics. 11:853-865
A procedure is suggested to estimate the positions of a transition state (TS) along the reaction coordinate in reaction series involving several radical reactions. It is based on the dependence between experimental activation energies U± and heat ef
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::9e0ab61a9339f0ffa1a6da241dbffdd7
https://doi.org/10.1002/kin.550110805
https://doi.org/10.1002/kin.550110805
Autor:
N. N. Weinberg, M. V. Basilevsky
Publikováno v:
Journal of Molecular Liquids. 33:1-28
A new approach to the thermodynamic description of a microscopic system in a lattice field approximation is formulated. Within this approach the pressure influence on a microscopic subsystem is represented by a pressure-dependent effective medium pot
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f7902282fcca5c8ce1578d3e9d643b34
https://doi.org/10.1016/0167-7322(86)80034-4
https://doi.org/10.1016/0167-7322(86)80034-4
Publikováno v:
Theoretica Chimica Acta. 59:373-385
A method is suggested to calculate the geometrical and thermodynamical characteristics of organic π- complexes. The interaction energy is considered as a sum of two terms: the specific quantum chemical interaction of the π- electron systems dependi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::eafd784630f658783fdd6f402104218a
https://doi.org/10.1007/bf02402401
https://doi.org/10.1007/bf02402401
Publikováno v:
Journal of Molecular Liquids. 33:29-51
A number of temperature-dependent effects of high pressure including compressibilities of some molecular liquids at different temperatures, thermal dependence of activation and reaction volumes and temperature corrections for activation parameters is
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1eedb95706ac17d9ee8a3a0efe57c747
https://doi.org/10.1016/0167-7322(86)80035-6
https://doi.org/10.1016/0167-7322(86)80035-6
Publikováno v:
Journal of the Chemical Society, Faraday Transactions 1: Physical Chemistry in Condensed Phases. 81:875
A simple theoretical model of high-pressure kinetic effects is proposed based on the assumption that characteristic (initial, transition or product) states of a reacting system should be identified with stationary points of an enthalpy surface rather
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2aa21fa419cf479a2896d8f048703ab3
https://doi.org/10.1039/f19858100875
https://doi.org/10.1039/f19858100875
Autor:
Wiebe H; Department of Chemistry, Simon Fraser University, Burnaby, British Columbia V5A 1S6, Canada., Weinberg N; Department of Chemistry, Simon Fraser University, Burnaby, British Columbia V5A 1S6, Canada.
Publikováno v:
The Journal of chemical physics [J Chem Phys] 2014 Mar 28; Vol. 140 (12), pp. 124105.