THEORETICAL 3-DIMENSIONAL POTENTIAL-ENERGY SURFACE FOR THE REACTION OF BE WITH HF

被引:54
作者
CHAPMAN, S
DUPUIS, M
GREEN, S
机构
[1] UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,NATL RESOURCE COMPUTAT CHEM,BERKELEY,CA 94720
[2] NASA,GODDARD SPACE FLIGHT CTR,INST SPACE STUDIES,NEW YORK,NY 10025
关键词
D O I
10.1016/0301-0104(83)87010-4
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:93 / 105
页数:13
相关论文
共 56 条
  • [1] ACCURATE AB-INITIO CALCULATION OF BEH MOLECULE .1. X 2SIGMA+ AND A 2PI STATES
    BAGUS, PS
    MOSER, CM
    GOETHALS, P
    VERHAEGEN, G
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1973, 58 (05) : 1886 - 1897
  • [2] BALINTKURTI GG, 1977, FARADAY DISCUSS, V62, P77
  • [3] AVOIDED INTERSECTION OF POTENTIAL-ENERGY SURFACES - (H+ + H2, H + H+/2) SYSTEM
    BAUSCHLI.CW
    ONEIL, SV
    PRESTON, RK
    SCHAEFER, HF
    BENDER, CF
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1973, 59 (03) : 1286 - 1292
  • [4] BAYBUTT P, 1979, J CHEM PHYS, V70, P2050, DOI 10.1063/1.438054
  • [5] GENERALIZED VALENCE-BOND INVESTIGATION OF REACTION H+BR2-]HBR+BR
    BAYBUTT, P
    BOBROWICZ, FW
    KAHN, LR
    TRUHLAR, DG
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1978, 68 (11) : 4809 - 4822
  • [6] POTENTIAL-ENERGY SURFACE INCLUDING ELECTRON CORRELATION FOR CHEMICAL F+H2-]FH+H .1. PRELIMINARY SURFACE
    BENDER, CF
    SCHAEFER, HF
    ONEIL, SV
    PEARSON, PK
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1972, 56 (09) : 4626 - &
  • [7] SADDLE POINT GEOMETRY AND BARRIER HEIGHT FOR H+F2-]HF+F
    BENDER, CF
    BAUSCHLICHER, CW
    SCHAEFER, HF
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1974, 60 (09) : 3707 - 3708
  • [8] H+/3 - GEOMETRY DEPENDENCE OF ELECTRONIC PROPERTIES
    CARNEY, GD
    PORTER, RN
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1974, 60 (11) : 4251 - 4264
  • [9] POTENTIAL-ENERGY SURFACE FOR THE LI+HF-]LIF+H REACTION
    CHEN, MML
    SCHAEFER, HF
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1980, 72 (08) : 4376 - 4393
  • [10] CZISMADIA IG, 1970, J CHEM PHYS, V52, P6205, DOI DOI 10.1063/1.1672928