SEMI-EMPIRICAL POTENTIAL-ENERGY SURFACES FOR THE REACTIONS H+HCL-]H2+CL AND H'+HCL-]H'CL+H

被引:27
|
作者
LAST, I
BAER, M
机构
关键词
D O I
10.1016/0009-2614(80)80707-X
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:514 / 518
页数:5
相关论文
共 50 条
  • [1] QUANTUM DYNAMICAL STUDY OF THE H+HCL-]H2+CL REACTION
    BRANCHETT, SE
    PADKJAER, SB
    LAUNAY, JM
    CHEMICAL PHYSICS LETTERS, 1993, 208 (5-6) : 523 - 529
  • [2] Gas phase reactions of HNO3 with cl-, Cl-H2O, and Cl-HCl, of Cl2 with Cl-H2O and Cl-HCl, and of HCl with Cl-H2O
    Amelynck, C
    Arijs, E
    Schoon, N
    Van Bavel, AR
    INTERNATIONAL JOURNAL OF MASS SPECTROMETRY, 1998, 181 : 113 - 121
  • [3] H+CL2=HCL+CL
    不详
    NATURE, 1972, 236 (5343) : 141 - &
  • [4] AB-INITIO POTENTIAL-ENERGY SURFACE FOR LINEAR REACTION H + CL2-]HCL + CL
    DEDIEU, A
    JOURNAL DE CHIMIE PHYSIQUE ET DE PHYSICO-CHIMIE BIOLOGIQUE, 1974, 71 (04) : 615 - 616
  • [5] GLOBAL POTENTIAL-ENERGY SURFACES FOR H2CL
    SCHWENKE, DW
    TUCKER, SC
    STECKLER, R
    BROWN, FB
    LYNCH, GC
    TRUHLAR, DG
    GARRETT, BC
    JOURNAL OF CHEMICAL PHYSICS, 1989, 90 (06): : 3110 - 3120
  • [6] NEW SEMI-EMPIRICAL METHOD OF MODELING POTENTIAL-ENERGY SURFACES FOR GENERALIZED TST AND APPLICATION TO THE KINETIC ISOTOPE EFFECTS IN THE CL-H-H SYSTEM
    GARRETT, BC
    TRUHLAR, DG
    MAGNUSON, AW
    JOURNAL OF CHEMICAL PHYSICS, 1982, 76 (05): : 2321 - 2331
  • [7] The effect of spin-orbit coupling on the thermal rate constant of the H2+Cl→H+HCl reaction
    Manthe, U
    Capecchi, G
    Werner, HJ
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2004, 6 (21) : 5026 - 5030
  • [8] An analytical representation of the ground potential energy surface (2A′) of the H+Cl2-HCl+Cl and Cl+HCl→HCl+Cl reactions, based on ab initio calculations
    González, M
    Hijazo, J
    Novoa, JJ
    Sayós, R
    JOURNAL OF CHEMICAL PHYSICS, 1998, 108 (08): : 3168 - 3177
  • [9] Potential surfaces for reactions of H and Cl with HCN
    Harding, LB
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1996, 212 : 108 - PHYS
  • [10] THE REACTIVE FLUX CORRELATION-FUNCTION FOR COLLINEAR REACTIONS H + H-2, CL + HCL AND F + H-2
    TROMP, JW
    MILLER, WH
    FARADAY DISCUSSIONS, 1987, 84 : 441 - 453