Dimerization of cyclobutadiene. An ab initio CASSCF theoretical study

被引:0
|
作者
Li, Yi
Houk, K.N.
机构
来源
关键词
D O I
暂无
中图分类号
学科分类号
摘要
引用
收藏
相关论文
共 50 条
  • [1] The dimerization of cyclobutadiene. An ab initio CASSCF theoretical study
    Li, Y
    Houk, KN
    JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1996, 118 (04) : 880 - 885
  • [2] Ab INITIO CALCULATION OF RESONANCE ENERGIES. BENZENE AND CYCLOBUTADIENE.
    Hess Jr., B.A.
    Schaad, L.J.
    Journal of the American Chemical Society, 1983, 105 (26): : 7500 - 7505
  • [3] THEORETICAL COMPARISON OF TETRAHEDRANE AND CYCLOBUTADIENE BY AB INITIO TECHNIQUES
    BUENKER, RJ
    PEYERIMHOFF, SD
    JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1969, 91 (16) : 4342 - +
  • [4] AB INITIO STUDY ON STABILITY AND GEOMETRY OF CYCLOBUTADIENE
    BUENKER, RJ
    PEYERIMHOFF, SD
    JOURNAL OF CHEMICAL PHYSICS, 1968, 48 (01): : 354 - +
  • [5] Theoretical ab initio study of ranitidine
    Martins, JBL
    Perez, MA
    Silva, CHT
    Taft, CA
    Arissawa, M
    Longo, E
    Mello, PC
    Stamato, FMLG
    Tostes, JGR
    INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2002, 90 (02) : 575 - 586
  • [6] An ab initio theoretical study of the stereoisomers of tetrahydrocannabinols
    Ming-Ju Huang
    Jerzy Leszczynski
    Journal of Computer-Aided Molecular Design, 2001, 15 : 323 - 333
  • [7] Ab initio theoretical study of SiC microclusters
    Agrawal, B. K.
    Yadav, P. S.
    Yadav, R. K.
    Agrawal, S.
    PROGRESS IN CRYSTAL GROWTH AND CHARACTERIZATION OF MATERIALS, 2006, 52 (1-2) : 15 - 20
  • [8] An ab initio theoretical study of the stereoisomers of tetrahydrocannabinols
    Huang, MJ
    Leszczynski, J
    JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, 2001, 15 (04) : 323 - 333
  • [9] DIELS-ALDER DIMERIZATION OF 1,3-BUTADIENE - AN AB-INITIO CASSCF STUDY OF THE CONCERTED AND STEPWISE MECHANISMS AND BUTADIENE ETHYLENE REVISITED
    LI, Y
    HOUK, KN
    JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1993, 115 (16) : 7478 - 7485
  • [10] The effects of annulation on cyclobutadiene bond alternation: A comparative study of semiempirical and ab initio methods
    McKay, SE
    Kiprof, P
    Brown, AB
    JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 1996, 368 : 197 - 204