ACCURACY OF TRAJECTORY CALCULATIONS AND TRANSITION-STATE THEORY FOR THERMAL RATE CONSTANTS OF ATOM TRANSFER-REACTIONS

被引：120

作者：

TRUHLAR, DG

机构：

来源：

JOURNAL OF PHYSICAL CHEMISTRY | 1979年 / 83卷 / 01期

关键词：

D O I：

10.1021/j100464a025

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：188 / 199

页数：12

相关论文

共 86 条

[71] ADIABATIC THEORY OF CHEMICAL REACTIONS
TRUHLAR, DG
[J]. JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (05) : 2041 - &
[72] FUNCTIONAL REPRESENTATION OF LIU AND SIEGBAHNS ACCURATE ABINITIO POTENTIAL-ENERGY CALCULATIONS FOR H+H2
Truhlar, DG
Horowitz, CJ
[J]. JOURNAL OF CHEMICAL PHYSICS, 1978, 68 (05) : 2466 - 2476
[73] TRUHLAR DG, 1976, INT J QUANTUM CHEM, P239
[74] CORRECTION
TRUHLAR, DG
[J]. JOURNAL OF CHEMICAL PHYSICS, 1974, 61 (01) : 440 - 440
[75] MULTIPLE POTENTIAL-ENERGY SURFACES FOR REACTIONS OF SPECIES IN DEGENERATE ELECTRONIC STATES
TRUHLAR, DG
[J]. JOURNAL OF CHEMICAL PHYSICS, 1972, 56 (06) : 3189 - &
[76] IMPORTANCE OF ISOTOPE-DEPENDENT TRANSMISSION COEFFICIENTS IN CALCULATING LOW-TEMPERATURE ISOTOPE EFFECTS
TRUHLAR, DG
KUPPERMANN, A
DWYER, J
[J]. MOLECULAR PHYSICS, 1977, 33 (03) : 683 - 688
[77] HISTORY OF H-3 KINETICS
TRUHLAR, DG
WYATT, RE
[J]. ANNUAL REVIEW OF PHYSICAL CHEMISTRY, 1976, 27 : 1 - 43
[78] EXACT AND APPROXIMATE QUANTUM MECHANICAL REACTION PROBABILITIES AND RATE CONSTANTS FOR COLLINEAR H + H2 REACTION
TRUHLAR, DG
KUPPERMANN, A
[J]. JOURNAL OF CHEMICAL PHYSICS, 1972, 56 (05) : 2232 - +
[79] TRUHLAR DG, 1977, ADV CHEM PHYS, V36, P141
[80] TRUHLAR DG, ATOM MOL COLLISION T

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