A DIABATIC REACTION-PATH HAMILTONIAN

被引:101
作者
MILLER, WH [1 ]
RUF, BA [1 ]
CHANG, YT [1 ]
机构
[1] UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,DIV MAT & CHEM SCI,BERKELEY,CA 94720
关键词
D O I
10.1063/1.455395
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:6298 / 6304
页数:7
相关论文
共 63 条
[1]   DYNAMICS OF HYDROGEN-ATOM AND PROTON-TRANSFER REACTIONS - SYMMETRIC CASE [J].
BABAMOV, VK ;
MARCUS, RA .
JOURNAL OF CHEMICAL PHYSICS, 1981, 74 (03) :1790-1798
[2]  
BASILEVSKII MV, 1981, CHEM PHYS, V60, P349
[3]   NATURAL COORDINATES FOR POLYATOMIC REACTIONS [J].
BASILEVSKY, MV .
CHEMICAL PHYSICS, 1977, 24 (01) :81-89
[4]   THE TOPOGRAPHY OF POTENTIAL-ENERGY SURFACES [J].
BASILEVSKY, MV .
CHEMICAL PHYSICS, 1982, 67 (03) :337-346
[5]   STRUCTURE AND TUNNELING DYNAMICS OF MALONALDEHYDE - A THEORETICAL-STUDY [J].
BICERANO, J ;
SCHAEFER, HF ;
MILLER, WH .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1983, 105 (09) :2550-2553
[6]  
BOWMAN JM, 1984, ACS SYM SER, V263, P43
[7]   REACTION SURFACE HAMILTONIAN FOR THE DYNAMICS OF REACTIONS IN POLYATOMIC SYSTEMS [J].
CARRINGTON, T ;
MILLER, WH .
JOURNAL OF CHEMICAL PHYSICS, 1984, 81 (09) :3942-3950
[8]   REACTION SURFACE DESCRIPTION OF INTRAMOLECULAR HYDROGEN-ATOM TRANSFER IN MALONALDEHYDE [J].
CARRINGTON, T ;
MILLER, WH .
JOURNAL OF CHEMICAL PHYSICS, 1986, 84 (08) :4364-4370
[9]   VINYLIDENE - POTENTIAL-ENERGY SURFACE AND UNIMOLECULAR REACTION DYNAMICS [J].
CARRINGTON, T ;
HUBBARD, LM ;
SCHAEFER, HF ;
MILLER, WH .
JOURNAL OF CHEMICAL PHYSICS, 1984, 80 (09) :4347-4354
[10]   APPLICATIONS OF A SIMPLE DYNAMICAL MODEL TO THE REACTION-PATH HAMILTONIAN - TUNNELING CORRECTIONS TO RATE CONSTANTS, PRODUCT STATE DISTRIBUTIONS, LINE WIDTHS OF LOCAL MODE OVERTONES, AND MODE SPECIFICITY IN UNIMOLECULAR DECOMPOSITION [J].
CERJAN, CJ ;
SHI, S ;
MILLER, WH .
JOURNAL OF PHYSICAL CHEMISTRY, 1982, 86 (12) :2244-2251