EFFECT OF CURVATURE OF REACTION PATH ON DYNAMIC EFFECTS IN ENDOTHERMIC CHEMICAL-REACTIONS AND PRODUCT ENERGIES IN EXOTHERMIC REACTIONS

被引:92
作者
DUFF, JW [1 ]
TRUHLAR, DG [1 ]
机构
[1] UNIV MINNESOTA, DEPT CHEM, CHEM DYNAM LAB, MINNEAPOLIS, MN 55455 USA
关键词
D O I
10.1063/1.430727
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:2477 / 2491
页数:15
相关论文
共 72 条
[1]   ENERGY REQUIREMENTS FOR CHEMICAL REACTION - H+HF-!H2+F [J].
ANDERSON, JB .
JOURNAL OF CHEMICAL PHYSICS, 1970, 52 (07) :3849-&
[2]   RATES OF ENDOTHERMIC REACTIONS HCL plus X(X=I,CL) AS A FUNCTION OF REAGENT VIBRATION, ROTATION, AND TRANSLATION [J].
ANLAUF, KG ;
MAYLOTTE, DH ;
POLANYI, JC ;
BERNSTEIN, RB .
JOURNAL OF CHEMICAL PHYSICS, 1969, 51 (12) :5716-+
[3]  
[Anonymous], 1966, GAS PHASE REACTION R
[4]   PERTURBATION-THEORY FOR VIBRATIONAL TRANSITIONS INDUCED BY BIMOLECULAR REACTIONS [J].
BASILEVSKY, MV .
MOLECULAR PHYSICS, 1973, 26 (03) :765-775
[5]   MONTE CARLO CALCULATIONS .2. REACTIONS OF ALKALI ATOMS WITH METHYL IODIDE [J].
BLAIS, NC ;
BUNKER, DL .
JOURNAL OF CHEMICAL PHYSICS, 1962, 37 (11) :2713-&
[6]   MONTE-CARLO TRAJECTORIES - DYNAMICS OF REACTION F+D2 ON A SEMIEMPIRICAL VALENCE-BOND POTENTIAL-ENERGY SURFACE [J].
BLAIS, NC ;
TRUHLAR, DG .
JOURNAL OF CHEMICAL PHYSICS, 1973, 58 (03) :1090-1108
[7]   DIRECT TEST OF VIBRATIONALLY ADIABATIC THEORY OF CHEMICAL REACTIONS [J].
BOWMAN, JM ;
KUPPERMANN, A ;
ADAMS, JT ;
TRUHLAR, DG .
CHEMICAL PHYSICS LETTERS, 1973, 20 (03) :229-232
[8]   REVISED GENERAL A+BC POTENTIAL FOR TRAJECTORY STUDIES [J].
BUNKER, DL ;
PARR, CA .
JOURNAL OF CHEMICAL PHYSICS, 1970, 52 (11) :5700-&
[9]   MONTE CARLO CALCULATIONS .V. 3-DIMENSIONAL STUDY OF GENERAL BIMOLECULAR INTERACTION POTENTIAL [J].
BUNKER, DL ;
BLAIS, NC .
JOURNAL OF CHEMICAL PHYSICS, 1964, 41 (08) :2377-&
[10]  
CARRINGTON T, 1972, CHEMICAL KINETICS, P135