DEFINITIVE CHARACTERIZATION OF THE C3H7+ POTENTIAL-ENERGY SURFACE

被引:110
|
作者
KOCH, W
LIU, B
SCHLEYER, PV
机构
[1] IBM CORP,ALMADEN RES CTR,SAN JOSE,CA 95120
[2] UNIV ERLANGEN NURNBERG,INST ORGAN CHEM,D-8520 ERLANGEN,FED REP GER
关键词
D O I
10.1021/ja00191a082
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
收藏
页码:3479 / 3480
页数:2
相关论文
共 50 条
  • [1] THE C3H7+ CATION
    KOCH, W
    SCHLEYER, PV
    BUZEK, P
    LIU, BW
    [J]. CROATICA CHEMICA ACTA, 1992, 65 (03) : 655 - 672
  • [2] POTENTIAL-ENERGY SURFACE FOR H3
    SHAVITT, I
    STEVENS, RM
    MINN, FL
    KARPLUS, M
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1968, 48 (06): : 2700 - &
  • [3] AN IMPROVED H3 POTENTIAL-ENERGY SURFACE
    BOOTHROYD, AI
    KEOGH, WJ
    MARTIN, PG
    PETERSON, MR
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1991, 95 (06): : 4343 - 4359
  • [4] THE C4H9+ POTENTIAL-ENERGY SURFACE
    SIEBER, S
    BUZEK, P
    SCHLEYER, PV
    KOCH, W
    CARNEIRO, JWD
    [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1993, 115 (01) : 259 - 270
  • [5] A SPECTROSCOPICALLY DETERMINED POTENTIAL-ENERGY SURFACE FOR H-3+
    DINELLI, BM
    MILLER, S
    TENNYSON, J
    [J]. JOURNAL OF MOLECULAR SPECTROSCOPY, 1994, 163 (01) : 71 - 79
  • [6] CNDO CALCULATIONS OF REARRANGEMENTS IN C3H7+ SERIES
    KOLLMAR, H
    SMITH, HO
    [J]. TETRAHEDRON LETTERS, 1970, (21) : 1833 - &
  • [7] POTENTIAL-ENERGY PROFILES FOR THE UNIMOLECULAR REACTIONS OF [C3H7S]+ IONS
    BROER, WJ
    WERINGA, WD
    [J]. ORGANIC MASS SPECTROMETRY, 1980, 15 (05): : 229 - 235
  • [8] EFFECT OF POLARIZATION FUNCTIONS AND ELECTRON CORRELATION ON THE C4H7+ POTENTIAL-ENERGY SURFACE
    MCKEE, ML
    [J]. JOURNAL OF PHYSICAL CHEMISTRY, 1986, 90 (21): : 4908 - 4910
  • [9] AN ABINITIO MOLECULAR-ORBITAL STUDY OF THE C3H3+ POTENTIAL-ENERGY SURFACE
    LI, WK
    RIGGS, NV
    [J]. JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 1992, 89 (1-2): : 189 - 204
  • [10] STATIONARY-POINTS ON THE POTENTIAL-ENERGY SURFACE OF (C2H2)3
    BONE, RGA
    MURRAY, CW
    AMOS, RD
    HANDY, NC
    [J]. CHEMICAL PHYSICS LETTERS, 1989, 161 (02) : 166 - 174