ABINITIO STUDY OF ELECTRONIC COUPLING IN THE AQUEOUS FE-2+-FE-3+ ELECTRON EXCHANGE PROCESS

被引:170
作者
LOGAN, J
NEWTON, MD
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关键词
D O I
10.1063/1.445136
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 ;
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页码:4086 / 4091
页数:6
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共 20 条
[12]   THEORY OF HIGHLY EXOTHERMIC ELECTRON-TRANSFER REACTIONS [J].
MARCUS, RA ;
SIDERS, P .
JOURNAL OF PHYSICAL CHEMISTRY, 1982, 86 (05) :622-630
[13]   GEOMETRY OF THE N-PI-STAR STATES OF PARA-BENZOQUINONE - A COMPARISON OF VALENCE-BOND AND CONFIGURATION-INTERACTION DESCRIPTIONS [J].
MARTIN, RL ;
WADT, WR .
JOURNAL OF PHYSICAL CHEMISTRY, 1982, 86 (13) :2382-2387
[14]   ELECTRONIC POPULATION ANALYSIS ON LCAO-MO MOLECULAR WAVE FUNCTIONS .1. [J].
MULLIKEN, RS .
JOURNAL OF CHEMICAL PHYSICS, 1955, 23 (10) :1833-1840
[15]  
NEWTON MD, 1982, ACS SYM SER, V198, P255
[16]  
NEWTON MD, 1980, INT J QUANTUM CHEM, V14, P363
[17]  
OLAFSON BD, 1974, CHEM PHYS LETT, V28, P45
[18]  
Pauling L., 1960, NATURE CHEM BOND
[19]   THE THEORY OF THE FE2+-FE3+ ELECTRON EXCHANGE IN WATER [J].
TEMBE, BL ;
FRIEDMAN, HL ;
NEWTON, MD .
JOURNAL OF CHEMICAL PHYSICS, 1982, 76 (03) :1490-1507
[20]   ATOMIC CORELESS HARTREE-FOCK PSEUDOPOTENTIAL FOR ATOMS LI THROUGH NE [J].
TOPIOL, S ;
MOSKOWITZ, JW ;
MELIUS, CF .
JOURNAL OF CHEMICAL PHYSICS, 1979, 70 (06) :3008-3011