RAPID CONVERGENCE OF V-V ENERGY-TRANSFER CALCULATED USING ADIABATIC BASIS FUNCTIONS .1. AN ACCURATE 2-STATE MODEL FOR LOW-ENERGY RESONANT V-V ENERGY-TRANSFER .2.

被引:12
作者
THIRUMALAI, D
TRUHLAR, DG
机构
关键词
D O I
10.1063/1.442926
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:5287 / 5294
页数:8
相关论文
共 24 条
[2]   DYNAMICS OF HYDROGEN-ATOM AND PROTON-TRANSFER REACTIONS - SYMMETRIC CASE [J].
BABAMOV, VK ;
MARCUS, RA .
JOURNAL OF CHEMICAL PHYSICS, 1981, 74 (03) :1790-1798
[3]   COLLINEAR COLLISION OF 2 DIATOMIC-MOLECULES - APPLICATION OF ADIABATIC APPROXIMATION AND T-MATRIX AND K-MATRIX METHODS [J].
CLARKE, JH ;
THIELE, E .
CHEMICAL PHYSICS, 1974, 4 (03) :447-457
[4]   ROTATIONALLY INELASTIC-SCATTERING OF 2 HF MOLECULES [J].
DEPRISTO, AE ;
ALEXANDER, MH .
JOURNAL OF CHEMICAL PHYSICS, 1977, 66 (03) :1334-1342
[5]   VALIDITY OF ADIABATIC APPROXIMATION FOR VIBRATIONAL ENERGY-TRANSFER IN COLLISIONS BETWEEN DIATOMIC-MOLECULES [J].
DWYER, JP ;
KUPPERMANN, A .
CHEMICAL PHYSICS LETTERS, 1976, 44 (03) :499-502
[6]  
Garrett B. C., 1981, THEOR CHEM ADV PER A, V6A, P215
[7]   ABINITIO TREATMENT OF ELECTRONICALLY INELASTIC K+H COLLISIONS USING A DIRECT INTEGRATION METHOD FOR THE SOLUTION OF THE COUPLED-CHANNEL SCATTERING EQUATIONS IN ELECTRONICALLY ADIABATIC REPRESENTATIONS [J].
GARRETT, BC ;
REDMON, MJ ;
TRUHLAR, DG ;
MELIUS, CF .
JOURNAL OF CHEMICAL PHYSICS, 1981, 74 (01) :412-424
[8]   REACTION PROBABILITIES, RESONANCES, AND THERMAL RATE CONSTANTS FOR THE COLLINEAR REACTIONS H+FH AND D+FD ON A LOW-BARRIER SURFACE - CLOSE-COUPLING AND TUNNELING CALCULATIONS, VARIATIONAL TRANSITION-STATE THEORY, AND THE UNIFIED STATISTICAL-MODEL [J].
GARRETT, BC ;
TRUHLAR, DG ;
GREV, RS ;
SCHATZ, GC ;
WALKER, RB .
JOURNAL OF PHYSICAL CHEMISTRY, 1981, 85 (25) :3806-3817
[9]   COMPARISON OF VARIATIONAL TRANSITION-STATE THEORY AND THE UNIFIED STATISTICAL-MODEL WITH VIBRATIONALLY ADIABATIC TRANSMISSION COEFFICIENTS TO ACCURATE COLLINEAR RATE CONSTANTS FOR T+HD-]TH+D [J].
GARRETT, BC ;
TRUHLAR, DG ;
GREV, RS ;
WALKER, RB .
JOURNAL OF CHEMICAL PHYSICS, 1980, 73 (01) :235-240
[10]   CALCULATION OF TRANSITION PROBABILITIES FOR COLLINEAR ATOM-DIATOM AND DIATOM-DIATOM COLLISIONS WITH LENNARD-JONES INTERACTION [J].
GUTSCHICK, VP ;
MCKOY, V ;
DIESTLER, DJ .
JOURNAL OF CHEMICAL PHYSICS, 1970, 52 (09) :4807-+