GILLESPIES MODEL MOLECULAR ORBITALS AND MOLECULAR STRUCTURE

被引:54
|
作者
BARTELL, LS
机构
关键词
D O I
10.1021/ic50043a046
中图分类号
O61 [无机化学];
学科分类号
070301 ; 081704 ;
摘要
引用
收藏
页码:1635 / &
相关论文
共 50 条
  • [31] SUPRAMOLECULAR BONDING ORBITALS FROM MOLECULAR ANTIBONDING ORBITALS - STRUCTURE OF RADICAL ANION OF SULFURYL CHLORIDE
    KERR, CML
    WILLIAMS, F
    JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1971, 93 (11) : 2805 - &
  • [32] Molecular orbital calculation of biomolecules with fragment molecular orbitals
    Tsuneyuki, Shinji
    Kobori, Tomoki
    Akagi, Kazuto
    Sodeyama, Keitaro
    Terakura, Kiyoyuki
    Fukuyama, Hidetoshi
    CHEMICAL PHYSICS LETTERS, 2009, 476 (1-3) : 104 - 108
  • [33] Definition of molecular orbitals in fragment molecular orbital method
    Inadomi, Y
    Nakano, T
    Kitaura, K
    Nagashima, U
    CHEMICAL PHYSICS LETTERS, 2002, 364 (1-2) : 139 - 143
  • [34] Toward Polaritonic Molecular Orbitals for Large Molecular Systems
    El Moutaoukal, Yassir
    Riso, Rosario R.
    Castagnola, Matteo
    Koch, Henrik
    JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2024, 20 (20) : 8911 - 8920
  • [35] LOCALIZATION OF MOLECULAR-ORBITALS
    TSENG, TJ
    WHITEHEAD, MA
    JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II, 1983, 79 : 37 - 40
  • [36] GRAPH THEORY OF MOLECULAR ORBITALS
    唐敖庆
    江元生
    ScienceinChina,SerA., 1976, Ser.A.1976 (02) : 207 - 226
  • [37] Localization of molecular orbitals on fragments
    Sax, Alexander F.
    JOURNAL OF COMPUTATIONAL CHEMISTRY, 2012, 33 (17) : 1495 - 1510
  • [38] PION MOLECULAR-ORBITALS
    TRANQUILLE, C
    JACKSON, DF
    PHYSICAL REVIEW A, 1986, 34 (02): : 742 - 762
  • [39] Molecular Orbitals for Properties and Spectroscopies
    Robert, Vincent
    Domingo, Alex
    Braunstein, Pierre
    Danopoulos, Andreas
    Monakhov, Kirill
    INTERNATIONAL CONFERENCE OF COMPUTATIONAL METHODS IN SCIENCES AND ENGINEERING 2015 (ICCMSE 2015), 2015, 1702
  • [40] Magnetic molecular orbitals in MnSi
    Jin, Zhendong
    Li, Yangmu
    Hu, Zhigang
    Hu, Biaoyan
    Liu, Yiran
    Iida, Kazuki
    Kamazawa, Kazuya
    Stone, Matthew B.
    Kolesnikov, Alexander I.
    Abernathy, Douglas L.
    Zhang, Xiangyu
    Chen, Haiyang
    Wang, Yandong
    Fang, Chen
    Wu, Biao
    Zaliznyak, Igor A.
    Tranquada, John M.
    Li, Yuan
    SCIENCE ADVANCES, 2023, 9 (01)