EXACT QUANTUM, QUASICLASSICAL FORWARD AND REVERSE REACTION PROBABILITIES FOR A COLLINEAR ASYMMETRIC MODEL REACTION

被引：6

作者：

BERGERON, G

LEFORESTIER, C

机构：

来源：

CHEMICAL PHYSICS LETTERS | 1980年 / 71卷 / 03期

关键词：

D O I：

10.1016/0009-2614(80)80216-8

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

收藏

页码：519 / 523

页数：5

相关论文

共 13 条

[1] 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
[2] NUMERICAL TREATMENT OF ORDINARY DIFFERENTIAL EQUATIONS BY EXTRAPOLATION METHODS
BULIRSCH, R
STOER, J
[J]. NUMERISCHE MATHEMATIK, 1966, 8 (01) : 1 - &
[3] QUASICLASSICAL TRAJECTORY CALCULATIONS COMPARED TO QUANTUM-MECHANICAL REACTION PROBABILITIES, RATE CONSTANTS, AND ACTIVATION-ENERGIES FOR 2 DIFFERENT POTENTIAL SURFACES FOR COLLINEAR REACTION H2+I-]H+HI, INCLUDING DEPENDENCE ON INITIAL VIBRATIONAL-STATE
GRAY, JC
TRUHLAR, DG
CLEMENS, L
DUFF, JW
CHAPMAN, FM
MORRELL, GO
HAYES, EF
[J]. JOURNAL OF CHEMICAL PHYSICS, 1978, 69 (01) : 240 - 252
[4] COLLINEAR CLASSICAL DYNAMICS ON A CHEMICALLY ACCURATE H+H2 POTENTIAL-ENERGY SURFACE
HOWARD, RE
YATES, AC
LESTER, WA
[J]. JOURNAL OF CHEMICAL PHYSICS, 1977, 66 (05) : 1960 - 1967
[5] COMPARISON OF QUANTUM-MECHANICAL AND QUASICLASSICAL SCATTERING AS A FUNCTION OF SURFACE TOPOLOGY
KELLERHALS, GE
SATHYAMURTHY, N
RAFF, LM
[J]. JOURNAL OF CHEMICAL PHYSICS, 1976, 64 (02) : 818 - 825
[6] KELLERHALS GE, 1979, J CHEM PHYS, V70, P599, DOI 10.1063/1.438048
[7] DYNAMIC THRESHOLD IN F+H-2-]HF+H REACTION AS DETERMINED FROM 3-DIMENSIONAL QUASI-CLASSICAL REVERSE TRAJECTORY CALCULATIONS
LEASURE, SC
BOWMAN, JM
[J]. CHEMICAL PHYSICS LETTERS, 1976, 39 (03) : 462 - 467
[8] R MATRIX APPROACH TO SOLUTION OF COUPLED EQUATIONS FOR ATOM-MOLECULE REACTIVE SCATTERING
LIGHT, JC
WALKER, RB
[J]. JOURNAL OF CHEMICAL PHYSICS, 1976, 65 (10) : 4272 - 4282
[9] QUANTUM-MECHANICAL TRANSITION-STATE THEORY AND A NEW SEMICLASSICAL MODEL FOR REACTION-RATE CONSTANTS
MILLER, WH
[J]. JOURNAL OF CHEMICAL PHYSICS, 1974, 61 (05) : 1823 - 1834
[10] TRAPPED TRAJECTORIES AT BOUNDARY OF REACTIVITY BANDS IN MOLECULAR-COLLISIONS
PECHUKAS, P
POLLAK, E
[J]. JOURNAL OF CHEMICAL PHYSICS, 1977, 67 (12) : 5976 - 5977