GLOBAL POTENTIAL-ENERGY SURFACES FOR H2CL

被引：94
作者：
SCHWENKE, DW
TUCKER, SC
STECKLER, R
BROWN, FB
LYNCH, GC
TRUHLAR, DG
GARRETT, BC
机构：
[1] UNIV MINNESOTA, INST SUPERCOMP, MINNEAPOLIS, MN 55455 USA
[2] UNIV MINNESOTA, DEPT CHEM, MINNEAPOLIS, MN 55455 USA
来源：
JOURNAL OF CHEMICAL PHYSICS | 1989年 / 90卷 / 06期
关键词：
D O I：
10.1063/1.455914
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：3110 / 3120
页数：11
相关论文
共 58 条
[1]  
AMAEE B, UNPUB
[2]  
BAER M, 1981, POTENTIAL ENERGY SUR, P519
[3]   TEMPERATURE-DEPENDENCE OF INTRAMOLECULAR KINETIC ISOTOPE-EFFECT IN REACTION SYSTEM CL+HD [J].
YAAKOV, YB ;
PERSKY, A ;
KLEIN, FS .
JOURNAL OF CHEMICAL PHYSICS, 1973, 59 (05) :2415-2419
[4]  
BENSON SW, 1964, INT J CHEM KINET, V1, P29
[5]   EFFECT OF BENDING POTENTIAL ON CALCULATED PRODUCT-STATE DISTRIBUTIONS FOR THE REACTION H+D2-]HD+D [J].
BLAIS, NC ;
TRUHLAR, DG ;
GARRETT, BC .
JOURNAL OF CHEMICAL PHYSICS, 1985, 82 (05) :2300-2304
[6]   THE EFFECT OF TRANSITION-STATE BOND ANGLE ON VIBRATIONAL-ENERGY RELEASE IN CHEMICAL-REACTIONS [J].
BLAIS, NC ;
TRUHLAR, DG .
CHEMICAL PHYSICS LETTERS, 1985, 118 (04) :379-383
[7]   PNO-CEPA CALCULATION OF COLLINEAR POTENTIAL-ENERGY BARRIERS FOR THERMONEUTRAL EXCHANGE-REACTIONS [J].
BOTSCHWINA, P ;
MEYER, W .
CHEMICAL PHYSICS, 1977, 20 (01) :43-52
[8]   AN IMPROVED POTENTIAL-ENERGY SURFACE FOR F+H2-]HF+H AND H+H'F-]HF+H' [J].
BROWN, FB ;
STECKLER, R ;
SCHWENKE, DW ;
TRUHLAR, DG ;
GARRETT, BC .
JOURNAL OF CHEMICAL PHYSICS, 1985, 82 (01) :188-201
[9]   A NEW SEMI-EMPIRICAL METHOD OF CORRECTING LARGE-SCALE CONFIGURATION-INTERACTION CALCULATIONS FOR INCOMPLETE DYNAMIC CORRELATION OF ELECTRONS [J].
BROWN, FB ;
TRUHLAR, DG .
CHEMICAL PHYSICS LETTERS, 1985, 117 (04) :307-313
[10]   CLOSE-COUPLING CALCULATIONS ON THE H + BRH-]HBR + H REACTION IN 3 DIMENSIONS [J].
CLARY, DC .
JOURNAL OF CHEMICAL PHYSICS, 1985, 83 (04) :1685-1692
123456