THE REACTION X + CL2-]XCL+CL (X = MU,H,D) .2. COMPARISON OF EXPERIMENTAL-DATA WITH THEORETICAL RESULTS DERIVED FROM A NEW POTENTIAL-ENERGY SURFACE

被引:35
|
作者
CONNOR, JNL
JAKUBETZ, W
LAGANA, A
MANZ, J
WHITEHEAD, JC
机构
[1] VIENNA UNIV, INST THEORET CHEM & STRAHLENCHEM, A-1090 VIENNA, AUSTRIA
[2] TECH UNIV MUNICH, LEHRSTUHL THEORET CHEM, D-8046 GARCHING, GERMANY
关键词
D O I
10.1016/0301-0104(82)85053-2
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:29 / 48
页数:20
相关论文
共 50 条
  • [1] Reaction dynamics for the Cl(2P) + XCl ? XCl + Cl(2P) (X = H, D, Mu) reaction on a high-fidelity ground state potential energy surface
    Li, Qiang
    Yang, Mingjuan
    Song, Hongwei
    Li, Yongle
    JOURNAL OF CHEMICAL PHYSICS, 2023, 158 (23):
  • [2] 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
  • [3] THE REACTION MU+CL-2-]MUCL+CL, H+CL-2-]HCH+CL, D+CL-2-]DCL+CL .1. A NEW INVERSION PROCEDURE FOR OBTAINING POTENTIAL-ENERGY SURFACES FROM EXPERIMENTAL DETAILED AND TOTAL RATE COEFFICIENT DATA
    CONNOR, JNL
    JAKUBETZ, W
    MANZ, J
    WHITEHEAD, JC
    JOURNAL OF CHEMICAL PHYSICS, 1980, 72 (11): : 6209 - 6226
  • [4] THEORETICAL-STUDY OF X+H-2-]XH+H AND REVERSE REACTIONS (X=F, CL, BR, I) USING A NEW EMPIRICAL POTENTIAL-ENERGY SURFACE
    LENDVAY, G
    LASZLO, B
    BERCES, T
    CHEMICAL PHYSICS LETTERS, 1987, 137 (02) : 175 - 179
  • [5] ENERGY-DISTRIBUTION AMONG REACTION PRODUCTS .5. H+X2(X=CL, BR), D+CL2
    ANLAUF, KG
    POLANYI, JC
    WOODALL, KB
    MACDONAL.RG
    HORNE, DS
    JOURNAL OF CHEMICAL PHYSICS, 1972, 57 (04): : 1561 - &
  • [6] New Potential Energy Surface for the H + Cl2 Reaction and Quantum Dynamics Studies
    Chang, Hanwen
    Li, Wentao
    Sun, Zhigang
    JOURNAL OF PHYSICAL CHEMISTRY A, 2024, 128 (22): : 4425 - 4438
  • [7] Theoretical study of the potential energy surfaces of the van der Waals H2O-X2+ (X = Cl or Br) complexes
    Ayed, Tahra
    Lamoneda, Ramon Hernandez
    Janda, Kenneth C.
    JOURNAL OF PHYSICAL CHEMISTRY A, 2008, 112 (04): : 722 - 727
  • [8] ON THE POTENTIAL-ENERGY SURFACES FOR THE REACTION CA(S-1, P-3) + CL-2(1SIGMAG+)= CACL(X,A) + CL(P-2)
    HONJOU, N
    YARKONY, DR
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1984, 188 (AUG): : 246 - PHYS
  • [9] THE ENERGY-BAND STRUCTURE OF V2O5 .2. ANALYSIS OF THE THEORETICAL RESULTS AND COMPARISON WITH EXPERIMENTAL-DATA
    LAMBRECHT, W
    DJAFARIROUHANI, B
    LANNOO, M
    CLAUWS, P
    FIERMANS, L
    VENNIK, J
    JOURNAL OF PHYSICS C-SOLID STATE PHYSICS, 1980, 13 (13): : 2503 - 2517
  • [10] AN ANALYTICAL REPRESENTATION OF THE LOWEST POTENTIAL-ENERGY SURFACE FOR THE REACTION O(3P)+HCL(X1-SIGMA+)-]OH(X2-PI)+CL(2P)
    KOIZUMI, H
    SCHATZ, GC
    GORDON, MS
    JOURNAL OF CHEMICAL PHYSICS, 1991, 95 (09): : 6421 - 6428