SEMIEMPIRICAL SCALED MOLECULAR-ORBITAL THEORY

被引：1
|
作者：
MATHEU, FM
ELLISON, FO
机构：
来源：
JOURNAL OF CHEMICAL PHYSICS | 1972年 / 57卷 / 12期
关键词：
D O I：
10.1063/1.1678209
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：5183 / &
相关论文
共 50 条
  • [1] RAPID GEOMETRY OPTIMIZATION USING SEMIEMPIRICAL MOLECULAR-ORBITAL THEORY
    MOHR, JD
    MCIVER, JW
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1992, 204 : 32 - COMP
  • [2] ROTATIONAL BARRIERS IN POLYMERS USING SEMIEMPIRICAL MOLECULAR-ORBITAL THEORY
    FAMINI, GR
    KRISHNAN, PN
    MORRIS, RE
    BIRENZVIGE, A
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1991, 201 : 13 - POLY
  • [3] SEMIEMPIRICAL MOLECULAR-ORBITAL CALCULATION ON AMINOBENZIMIDAZOLES
    BEHERA, PK
    MISHRA, HP
    INDIAN JOURNAL OF CHEMISTRY SECTION A-INORGANIC BIO-INORGANIC PHYSICAL THEORETICAL & ANALYTICAL CHEMISTRY, 1993, 32 (05): : 418 - 420
  • [4] TETRAETHYNYLMETHANE - A SEMIEMPIRICAL MOLECULAR-ORBITAL STUDY
    CAPITANI, JF
    JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 1995, 332 (1-2): : 21 - 23
  • [5] SEMIEMPIRICAL MOLECULAR-ORBITAL CALCULATIONS FOR KETENE DIMERS
    DWIVEDI, CPD
    PRAMANA, 1985, 25 (05) : 547 - 555
  • [6] SEMIEMPIRICAL MOLECULAR-ORBITAL STUDY OF DIBORONTETRAHYDRIDE MOLECULE
    DATTA, MK
    DATTA, R
    INDIAN JOURNAL OF CHEMISTRY SECTION A-INORGANIC BIO-INORGANIC PHYSICAL THEORETICAL & ANALYTICAL CHEMISTRY, 1978, 16 (01): : 66 - 68
  • [7] SEMIEMPIRICAL MOLECULAR-ORBITAL CALCULATIONS ON DYE MOLECULES
    YATES, PC
    PATEL, B
    JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 1994, 121 : 117 - 122
  • [8] SEMIEMPIRICAL MOLECULAR-ORBITAL CALCULATIONS FOR SELENATE ION
    GIBBS, GV
    CHIARI, G
    LOUISNATHAN, SJ
    CRUICKSHANK, DWJ
    ZEITSCHRIFT FUR KRISTALLOGRAPHIE, 1976, 143 : 166 - 176
  • [9] THE ELECTROSTATIC POTENTIAL IN THE SEMIEMPIRICAL MOLECULAR-ORBITAL APPROXIMATION
    CUMMINS, PL
    GREADY, JE
    CHEMICAL PHYSICS LETTERS, 1994, 225 (1-3) : 11 - 17
  • [10] SEMIEMPIRICAL MOLECULAR-ORBITAL CALCULATION OF THE BILIRUBIN DIANION
    SHELVER, WL
    ROSENBERG, H
    SHELVER, WH
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1992, 204 : 19 - COMP
12345