TESTS OF COLLINEAR QUASICLASSICAL TRAJECTORY TRANSMISSION COEFFICIENT CORRECTION TO TRANSITION-STATE THEORY

被引:24
作者
BOWMAN, JM [1 ]
JU, GZ [1 ]
LEE, KT [1 ]
WAGNER, AF [1 ]
SCHATZ, GC [1 ]
机构
[1] ARGONNE NATL LAB, DIV CHEM, ARGONNE, IL 60439 USA
关键词
D O I
10.1063/1.441815
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:141 / 147
页数:7
相关论文
共 36 条
[1]  
[Anonymous], 1967, ADV CHEM PHYS, DOI 10.1002/9780470140154.ch5
[2]  
BOWMAN JD, UNPUBLISHED
[3]   SUDDEN ROTATION CALCULATIONS OF THE H+H2(UPSILON=1,J=0) REACTION [J].
BOWMAN, JM ;
LEE, KT .
CHEMICAL PHYSICS LETTERS, 1979, 64 (02) :291-294
[4]   SUDDEN ROTATION REACTIVE SCATTERING - THEORY AND APPLICATION TO 3-D H+H-2 [J].
BOWMAN, JM ;
LEE, KT .
JOURNAL OF CHEMICAL PHYSICS, 1980, 72 (09) :5071-5088
[5]   ACCURACY OF TRANSITION-STATE THEORY FOR THRESHOLD OF CHEMICAL-REACTIONS WITH ACTIVATION-ENERGY - COLLINEAR AND 3-DIMENSIONAL H + H2 [J].
CHAPMAN, S ;
HORNSTEIN, SM ;
MILLER, WH .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (04) :892-894
[6]   VARIATIONAL TRANSITION-STATE THEORY, VIBRATIONALLY ADIABATIC TRANSMISSION COEFFICIENTS, AND THE UNIFIED STATISTICAL-MODEL TESTED AGAINST ACCURATE QUANTAL RATE CONSTANTS FOR COLLINEAR F+H2, H+F2, AND ISOTOPIC ANALOGS [J].
GARRETT, BC ;
TRUHLAR, DG ;
GREV, RS ;
MAGNUSON, AW ;
CONNOR, JNL .
JOURNAL OF CHEMICAL PHYSICS, 1980, 73 (04) :1721-1728
[7]  
GARRETT BC, 1979, J PHYS CHEM-US, V83, P3058, DOI 10.1021/j100486a600
[8]   GENERALIZED TRANSITION-STATE THEORY - QUANTUM EFFECTS FOR COLLINEAR REACTIONS OF HYDROGEN MOLECULES AND ISOTOPICALLY SUBSTITUTED HYDROGEN MOLECULES [J].
GARRETT, BC ;
TRUHLAR, DG .
JOURNAL OF PHYSICAL CHEMISTRY, 1979, 83 (08) :1079-1112
[9]   IMPROVED TREATMENT OF THRESHOLD CONTRIBUTIONS IN VARIATIONAL TRANSITION-STATE THEORY [J].
GARRETT, BC ;
TRUHLAR, DG ;
GREV, RS ;
MAGNUSON, AW .
JOURNAL OF PHYSICAL CHEMISTRY, 1980, 84 (13) :1730-1748
[10]   GENERALIZED TRANSITION-STATE THEORY - CLASSICAL MECHANICAL THEORY AND APPLICATIONS TO COLLINEAR REACTIONS OF HYDROGEN MOLECULES [J].
GARRETT, BC ;
TRUHLAR, DG .
JOURNAL OF PHYSICAL CHEMISTRY, 1979, 83 (08) :1052-1078