PARAMETERIZED VALENCE BOND CALCULATIONS FOR BENZENOID HYDROCARBONS USING CLAR STRUCTURES

被引:0
|
作者
HERNDON, WC [1 ]
HOSOYA, H [1 ]
机构
[1] OCHANOMIZU UNIV,DEPT CHEM,BUNKYO KU,TOKYO 112,JAPAN
关键词
D O I
暂无
中图分类号
O62 [有机化学];
学科分类号
070303 ; 081704 ;
摘要
引用
收藏
页码:3987 / 3995
页数:9
相关论文
共 50 条
  • [1] CLAR VALENCE STRUCTURES OF BENZENOID HYDROCARBONS
    ELBASIL, S
    RANDIC, M
    JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II, 1988, 84 : 1875 - 1887
  • [2] BOND LENGTHS, REACTIVITIES, AND AROMATICITIES OF BENZENOID HYDROCARBONS BASED ON THE VALENCE-BOND CALCULATIONS
    LI, SH
    JIANG, YS
    JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1995, 117 (32) : 8401 - 8406
  • [3] Partitioning of π-electrons in rings for Clar structures of benzenoid hydrocarbons
    Randic, M
    Balaban, AT
    JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2006, 46 (01) : 57 - 64
  • [4] Coding Canonical Clar Structures of Polycyclic Benzenoid Hydrocarbons
    Balaban, Alexandru T.
    Randic, Milan
    MATCH-COMMUNICATIONS IN MATHEMATICAL AND IN COMPUTER CHEMISTRY, 2019, 82 (01) : 139 - 162
  • [5] π-electron partitions, signatures, and clar structures of selected benzenoid hydrocarbons
    Balaban, Alexandru T.
    Pompe, Matevz
    Randic, Milan
    JOURNAL OF PHYSICAL CHEMISTRY A, 2008, 112 (17): : 4148 - 4157
  • [6] SEMIEMPIRICAL VALENCE BOND VIEWS FOR BENZENOID HYDROCARBONS
    KLEIN, DJ
    TOPICS IN CURRENT CHEMISTRY-SERIES, 1990, 153 : 57 - 83
  • [7] Clar number of catacondensed benzenoid hydrocarbons
    Klavzar, S
    Zigert, P
    Gutman, I
    JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2002, 586 : 235 - 240
  • [8] π-electron currents induced in polycyclic benzenoid hydrocarbons and their relationship to Clar structures
    Aihara, J
    JOURNAL OF PHYSICAL CHEMISTRY A, 2003, 107 (51): : 11553 - 11557
  • [9] MOLECULAR ORBITAL CALCULATIONS OF BOND LENGTHS IN BENZENOID HYDROCARBONS
    BOYD, GV
    SINGER, N
    TETRAHEDRON, 1966, 22 (10) : 3383 - &
  • [10] The valence bond study for benzenoid hydrocarbons of medium to infinite sizes
    Gao, Y
    Liu, CG
    Jiang, YS
    JOURNAL OF PHYSICAL CHEMISTRY A, 2002, 106 (11): : 2592 - 2597