CALCULATIONS OF POTENTIAL-ENERGY SURFACES IN COMPLEX PLANE .4. AB-INITIO SURFACES FOR H+/3

被引：14
|
作者：
JAFFE, RL [1 ]
MOROKUMA, K [1 ]
GEORGE, TF [1 ]
机构：
[1] UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
来源：
JOURNAL OF CHEMICAL PHYSICS | 1974年 / 61卷 / 11期
关键词：
D O I：
10.1063/1.1681794
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：4717 / 4725
页数：9
相关论文
共 50 条
  • [1] POTENTIAL-ENERGY SURFACES FOR LIQUID WATER - AN ESTIMATION FOR AB-INITIO CALCULATIONS
    HONDA, K
    KATO, K
    CHEMICAL PHYSICS LETTERS, 1994, 229 (1-2) : 65 - 70
  • [2] AB-INITIO CALCULATIONS OF POTENTIAL-ENERGY SURFACES IN COMPLEX PLANE .1. GENERAL THEORY AND ONE-ELECTRON EXAMPLE
    MOROKUMA, K
    GEORGE, TF
    JOURNAL OF CHEMICAL PHYSICS, 1973, 59 (04): : 1959 - 1973
  • [3] AB-INITIO POTENTIAL-ENERGY SURFACES FOR THE 2 LOWEST (1)A' STATES OF H-3(+)
    ICHIHARA, A
    YOKOYAMA, K
    JOURNAL OF CHEMICAL PHYSICS, 1995, 103 (06): : 2109 - 2112
  • [4] AB-INITIO POTENTIAL-ENERGY SURFACES FOR C2H-]C-2+H PHOTODISSOCIATION
    DUFLOT, D
    ROBBE, JM
    FLAMENT, JP
    JOURNAL OF CHEMICAL PHYSICS, 1994, 100 (02): : 1236 - 1246
  • [5] AB-INITIO POTENTIAL-ENERGY SURFACES FOR REACTIONS OF ATOMIC CARBON WITH MOLECULAR-HYDROGEN
    BLINT, RJ
    NEWTON, MD
    CHEMICAL PHYSICS LETTERS, 1975, 32 (01) : 178 - 183
  • [6] AB-INITIO STUDY OF THE POTENTIAL-ENERGY SURFACES OF DOUBLET VALENCE AND RYDBERG STATES OF FCO
    KROSSNER, T
    ZULICKE, L
    VETTER, R
    PERIC, M
    PEYERIMHOFF, SD
    JOURNAL OF CHEMICAL PHYSICS, 1994, 101 (05): : 3973 - 3980
  • [7] PHOTOFRAGMENTATION OF HF DIMER - QUANTUM DYNAMICS STUDIES ON AB-INITIO POTENTIAL-ENERGY SURFACES
    ZHANG, DH
    ZHANG, JZH
    JOURNAL OF CHEMICAL PHYSICS, 1993, 99 (09): : 6624 - 6633
  • [8] AB-INITIO POTENTIAL-ENERGY SURFACE FOR LINEAR H-3
    LIU, B
    JOURNAL OF CHEMICAL PHYSICS, 1973, 58 (05): : 1925 - 1937
  • [9] AB-INITIO VALENCE BOND CALCULATIONS OF POTENTIAL-ENERGY SURFACE FOR H+H2
    NORBECK, JM
    CERTAIN, PR
    JOURNAL OF CHEMICAL PHYSICS, 1975, 63 (10): : 4127 - 4132
  • [10] G2 AB-INITIO CALCULATIONS ON THE F++OH2 SINGLET AND TRIPLET POTENTIAL-ENERGY SURFACES
    LUNA, A
    MANUEL, M
    MO, O
    YANEZ, M
    JOURNAL OF PHYSICAL CHEMISTRY, 1994, 98 (28): : 6980 - 6987
12345