DYNAMIC THRESHOLD IN F+H-2-]HF+H REACTION AS DETERMINED FROM 3-DIMENSIONAL QUASI-CLASSICAL REVERSE TRAJECTORY CALCULATIONS

被引：18

作者：

LEASURE, SC ^{[1
]}

BOWMAN, JM ^{[1
]}

机构：

[1] IIT,DEPT CHEM,CHICAGO,IL 60616

来源：

CHEMICAL PHYSICS LETTERS | 1976年 / 39卷 / 03期

关键词：

D O I：

10.1016/0009-2614(76)80304-1

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：

引用

页码：462 / 467

页数：6

共 26 条

[1] COLLINEAR CL + XY SYSTEM (X,Y=H,D,T) - COMPARISON BETWEEN QUANTUM-MECHANICAL, CLASSICAL, AND TRANSITION-STATE THEORY RESULTS
BAER, M
HALAVEE, U
PERSKY, A
[J]. JOURNAL OF CHEMICAL PHYSICS, 1974, 61 (12) : 5122 - 5131
[2] MONTE-CARLO TRAJECTORIES - DYNAMICS OF REACTION F+D2 ON A SEMIEMPIRICAL VALENCE-BOND POTENTIAL-ENERGY SURFACE
BLAIS, NC
TRUHLAR, DG
[J]. JOURNAL OF CHEMICAL PHYSICS, 1973, 58 (03) : 1090 - 1108
[3] VIOLATION OF MICROSCOPIC REVERSIBILITY AND USE OF REVERSE QUASI-CLASSICAL TRAJECTORIES FOR CALCULATING REACTION CROSS-SECTIONS
BOWMAN, JM
SCHATZ, GC
KUPPERMA.A
[J]. CHEMICAL PHYSICS LETTERS, 1974, 24 (03) : 378 - 380
[4] COMPARISON OF SEMICLASSICAL, QUASICLASSICAL, AND EXACT QUANTUM TRANSITION-PROBABILITIES FOR COLLINEAR H+H2 EXCHANGE-REACTION
BOWMAN, JM
KUPPERMANN, A
[J]. JOURNAL OF CHEMICAL PHYSICS, 1973, 59 (12) : 6524 - 6534
[5] INFRARED CHEMILUMINESCENCE AND ENERGY PARTITIONING FROM REACTIONS OF FLUORINE ATOMS WITH PRIMARY CARBON-HYDROGEN BONDS OF ALKANES, HALOGENATED METHANES, AND TETRAMETHYL SILANE
CHANG, HW
SETSER, DW
[J]. JOURNAL OF CHEMICAL PHYSICS, 1973, 58 (06) : 2298 - 2309
[6] TEMPERATURE-DEPENDENCE OF VIBRATIONAL ENERGY-DISTRIBUTIONS IN REACTIONS F + H2 AND F + D2
COOMBE, RD
PIMENTEL, GC
[J]. JOURNAL OF CHEMICAL PHYSICS, 1973, 59 (01) : 251 - 257
[7] QUANTUM-MECHANICAL REACTION CROSS-SECTIONS FOR 3-DIMENSIONAL HYDROGEN-EXCHANGE REACTION
ELKOWITZ, AB
WYATT, RE
[J]. JOURNAL OF CHEMICAL PHYSICS, 1975, 62 (06) : 2504 - 2506
[8] CLASSICAL TRAJECTORY ANALYSIS OF REACTION F+H2-]HF+H
JAFFE, RL
ANDERSON, JB
[J]. JOURNAL OF CHEMICAL PHYSICS, 1971, 54 (05) : 2224 - &
[9] JAFFE RL, 1972, J CHEM PHYS, V56, P682, DOI 10.1063/1.1676938
[10] VARIATIONAL THEORY OF REACTION-RATES - APPLICATION TO F+H2REVERSIBLEHF+H
JAFFE, RL
HENRY, JM
ANDERSON, JB
[J]. JOURNAL OF CHEMICAL PHYSICS, 1973, 59 (03) : 1128 - 1141

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