DYNAMICS OF REACTIONS IN POLAR-SOLVENTS - SEMI-CLASSICAL TRAJECTORY STUDIES OF ELECTRON-TRANSFER AND PROTON-TRANSFER REACTIONS

被引：644
作者：
WARSHEL, A
机构：
来源：
JOURNAL OF PHYSICAL CHEMISTRY | 1982年 / 86卷 / 12期
关键词：
D O I：
10.1021/j100209a016
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
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页码：2218 / 2224
页数：7
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共 27 条
[11]   DYNAMICS OF ACTIVATED PROCESSES IN GLOBULAR-PROTEINS [J].
MCCAMMON, JA ;
KARPLUS, M .
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 1979, 76 (08) :3585-3589
[12]   SEMICLASSICAL THEORY OF ELECTRONIC TRANSITIONS IN LOW-ENERGY ATOMIC AND MOLECULAR COLLISIONS INVOLVING SEVERAL NUCLEAR DEGREES OF FREEDOM [J].
MILLER, WH ;
GEORGE, TF .
JOURNAL OF CHEMICAL PHYSICS, 1972, 56 (11) :5637-&
[13]   TRAJECTORY SURFACE HOPPING APPROACH TO NONADIABATIC MOLECULAR COLLISIONS - REACTION OF H+ WITH D2 [J].
TULLY, JC ;
PRESTON, RK .
JOURNAL OF CHEMICAL PHYSICS, 1971, 55 (02) :562-&
[14]  
Valleau J. P., 1977, MODERN THEORETICAL C, V5
[15]   AN EMPIRICAL VALENCE BOND APPROACH FOR COMPARING REACTIONS IN SOLUTIONS AND IN ENZYMES [J].
WARSHEL, A ;
WEISS, RM .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1980, 102 (20) :6218-6226
[16]   THEORETICAL STUDIES OF ENZYMIC REACTIONS - DIELECTRIC, ELECTROSTATIC AND STERIC STABILIZATION OF CARBONIUM-ION IN REACTION OF LYSOZYME [J].
WARSHEL, A ;
LEVITT, M .
JOURNAL OF MOLECULAR BIOLOGY, 1976, 103 (02) :227-249
[17]   ROLE OF THE CHLOROPHYLL DIMER IN BACTERIAL PHOTOSYNTHESIS [J].
WARSHEL, A .
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA-PHYSICAL SCIENCES, 1980, 77 (06) :3105-3109
[18]   CALCULATIONS OF ENZYMATIC-REACTIONS - CALCULATIONS OF PKA, PROTON-TRANSFER REACTIONS, AND GENERAL ACID CATALYSIS REACTIONS IN ENZYMES [J].
WARSHEL, A .
BIOCHEMISTRY, 1981, 20 (11) :3167-3177
[19]   CONVERSION OF LIGHT ENERGY TO ELECTROSTATIC ENERGY IN THE PROTON PUMP OF HALOBACTERIUM-HALOBIUM [J].
WARSHEL, A .
PHOTOCHEMISTRY AND PHOTOBIOLOGY, 1979, 30 (02) :285-290
[20]   SEMICLASSICAL TRAJECTORY APPROACH TO PHOTOISOMERIZATION [J].
WARSHEL, A ;
KARPLUS, M .
CHEMICAL PHYSICS LETTERS, 1975, 32 (01) :11-17
123