EFFECT OF BENDING POTENTIAL ON CALCULATED PRODUCT-STATE DISTRIBUTIONS FOR THE REACTION H+D2-]HD+D

被引:28
作者
BLAIS, NC
TRUHLAR, DG
GARRETT, BC
机构
[1] UNIV MINNESOTA,DEPT CHEM,MINNEAPOLIS,MN 55455
[2] CHEM DYNAM CORP,COLUMBUS,OH 43201
关键词
D O I
10.1063/1.448325
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:2300 / 2304
页数:5
相关论文
共 36 条
[1]   MONTE-CARLO TRAJECTORY STUDY OF AR+H2 COLLISIONS .1. POTENTIAL-ENERGY SURFACE AND CROSS-SECTIONS FOR DISSOCIATION, RECOMBINATION, AND INELASTIC-SCATTERING [J].
BLAIS, NC ;
TRUHLAR, DG .
JOURNAL OF CHEMICAL PHYSICS, 1976, 65 (12) :5335-5356
[2]   MONTE-CARLO TRAJECTORY CALCULATION OF STATE-TO-STATE CROSS-SECTIONS FOR VIBRATIONAL-ROTATIONAL-TRANSLATIONAL ENERGY-TRANSFER IN AR-H2 COLLISIONS [J].
BLAIS, NC ;
TRUHLAR, DG .
JOURNAL OF PHYSICAL CHEMISTRY, 1982, 86 (05) :638-647
[3]   CALCULATED PRODUCT-STATE DISTRIBUTIONS FOR THE REACTION H+D2-]HD+D AT RELATIVE TRANSLATIONAL ENERGIES 0.55 AND 1.30 EV [J].
BLAIS, NC ;
TRUHLAR, DG .
CHEMICAL PHYSICS LETTERS, 1983, 102 (2-3) :120-125
[4]   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
[5]   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-&
[6]   DIODE-LASER PROBES OF VIBRATIONAL-EXCITATION IN CO2 CAUSED BY HOT ATOMS FROM EXCIMER LASER PHOTOLYSIS [J].
CHU, JO ;
WOOD, CF ;
FLYNN, GW ;
WESTON, RE .
JOURNAL OF CHEMICAL PHYSICS, 1984, 80 (04) :1703-1704
[7]   THE REACTION H+D2-]HD+D - DISTORTED-WAVE CALCULATIONS AT ETRANS (UPSILON=O,J=0)=0.55 AND 1,3 EV [J].
CONNOR, JNL ;
SOUTHALL, WJE .
CHEMICAL PHYSICS LETTERS, 1984, 108 (06) :527-531
[8]   VIBRATIONAL-EXCITATION OF CH3F BY COLLISIONS WITH HOT HYDROGEN-ATOMS [J].
DATTA, S ;
WESTON, RE ;
FLYNN, GW .
JOURNAL OF CHEMICAL PHYSICS, 1984, 80 (09) :4071-4077
[9]  
Garrett B. C., 1981, POTENTIAL ENERGY SUR, P587
[10]   GENERALIZED TRANSITION-STATE THEORY CALCULATIONS FOR THE REACTIONS D+H2 AND H+D2 USING AN ACCURATE POTENTIAL-ENERGY SURFACE - EXPLANATION OF THE KINETIC ISOTOPE EFFECT [J].
GARRETT, BC ;
TRUHLAR, DG .
JOURNAL OF CHEMICAL PHYSICS, 1980, 72 (06) :3460-3471