SEMIEMPIRICAL MO CALCULATIONS ON SYMMETRY GOVERNED REACTIONS

被引:16
|
作者
COFFEY, P [1 ]
JUG, K [1 ]
机构
[1] ST LOUIS UNIV,DEPT CHEM,ST LOUIS,MO 63156
来源
THEORETICA CHIMICA ACTA | 1974年 / 34卷 / 03期
关键词
D O I
10.1007/BF00578418
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:213 / 224
页数:12
相关论文
共 50 条
  • [31] SEMIEMPIRICAL MO-CALCULATIONS ON FLUORO-COMPOUNDS AND FLUOROHYDROXO-COMPOUNDS OF SILICON
    KLEBOTH, K
    RODE, BM
    MONATSHEFTE FUR CHEMIE, 1974, 105 (04): : 815 - 821
  • [32] SEMIEMPIRICAL CALCULATIONS ON CYCLODEXTRINS
    BAKO, I
    JICSINSZKY, L
    JOURNAL OF INCLUSION PHENOMENA AND MOLECULAR RECOGNITION IN CHEMISTRY, 1994, 18 (03): : 275 - 289
  • [33] The mode of action of phospholipase A2:: Semiempirical MO calculations including the protein environment
    Schürer, G
    Lanig, H
    Clark, T
    JOURNAL OF PHYSICAL CHEMISTRY B, 2000, 104 (06): : 1349 - 1361
  • [34] DIPOLE-MOMENT DERIVATIVES FROM MINDO-3 SEMIEMPIRICAL MO CALCULATIONS
    PANDEY, PKK
    CHANDRA, P
    PRASAD, PL
    SINGH, S
    CHEMICAL PHYSICS LETTERS, 1977, 49 (02) : 353 - 356
  • [36] Semiempirical method of calculations of transition-state geometries for radical addition reactions
    A. F. Shestakov
    E. T. Denisov
    N. S. Emel'yanova
    Russian Chemical Bulletin, 2005, 54 : 905 - 913
  • [37] Semiempirical method of calculations of transition-state geometries for radical addition reactions
    Shestakov, AF
    Denisov, ET
    Emel'yanova, NS
    RUSSIAN CHEMICAL BULLETIN, 2005, 54 (04) : 905 - 913
  • [38] Semiempirical calculations of activation energies and rate constants for bimolecular reactions involving peroxides
    Denisova, TG
    Denisov, ET
    PETROLEUM CHEMISTRY, 2000, 40 (02) : 65 - 72
  • [39] MO SEMIEMPIRICAL CALCULATIONS OF THE C-13 SHIELDING CONSTANTS IN POLYSUBSTITUTED BENZENES OF BIOLOGICAL RELEVANCE
    LAI, A
    MELONI, M
    MONDUZZI, M
    SABA, G
    GAZZETTA CHIMICA ITALIANA, 1985, 115 (08): : 433 - 439
  • [40] Semiempirical SCF-MO calculations on the tautomeric equilibrium of histamine in gas phase and in aqueous solution
    Olea-Azar, CA
    Parra-Mouchet, JE
    BOLETIN DE LA SOCIEDAD CHILENA DE QUIMICA, 1998, 43 (02): : 189 - 200