ELECTRONIC-STRUCTURE OF HETEROAROMATIC MOLECULES - NON-EMPIRICAL CALCULATIONS AND PHOTOELECTRON-SPECTRA FOR ISOMERIC-THIAZOLES AND ISOMERIC-THIADIAZOLES

被引:35
|
作者
PALMER, MH
FINDLAY, RH
RIDYARD, JNA
BARRIE, A
SWIFT, P
机构
[1] UNIV EDINBURGH, DEPT CHEM, EDINBURGH EH9 3JJ, SCOTLAND
[2] PERKIN ELMER LTD, BEACONSFIELD, ENGLAND
[3] AIE SCI APPARATUS LTD, MANCHESTER, ENGLAND
关键词
D O I
10.1016/0022-2860(77)85089-8
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:189 / 206
页数:18
相关论文
共 50 条
  • [1] ELECTRONIC-STRUCTURE OF HETEROAROMATIC MOLECULES - ABINITIO CALCULATIONS AND PHOTOELECTRON-SPECTRA FOR ISOMERIC-OXAZOLES AND SOME ISOMERIC-OXADIAZOLES
    PALMER, MH
    FINDLAY, RH
    EGDELL, RG
    JOURNAL OF MOLECULAR STRUCTURE, 1977, 40 (02) : 191 - 210
  • [2] ELECTRONIC-STRUCTURE OF 6A-THIOTHIOPHTHEN AND RELATED MOLECULES - NON-EMPIRICAL CALCULATIONS AND REASSIGNMENT OF PHOTOELECTRON-SPECTRA
    PALMER, MH
    FINDLAY, RH
    JOURNAL OF MOLECULAR STRUCTURE, 1977, 37 (02) : 229 - 236
  • [3] PHOTOELECTRON-SPECTRA AND ELECTRONIC-STRUCTURE OF ORGANO-PHOSPHORUS COMPOUNDS .7. NON-EMPIRICAL COMPUTATION
    ZVEREV, VV
    ISLAMOV, RG
    ZHURNAL OBSHCHEI KHIMII, 1988, 58 (08): : 1752 - 1758
  • [4] A NON-EMPIRICAL AND HAM/3 STUDY OF THE GEOMETRY, CONFORMATIONAL BEHAVIOR AND ELECTRONIC-STRUCTURE OF ISOMERIC VINYLPYRIDINES
    BARONE, V
    BIANCHI, N
    LELJ, F
    ABBATE, G
    RUSSO, N
    JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 1984, 17 (1-2): : 35 - 43
  • [5] ELECTRONIC-STRUCTURE OF THE SULFUR NITRIDES - ABINITIO CALCULATIONS AND PHOTOELECTRON-SPECTRA
    FINDLAY, RH
    PALMER, MH
    DOWNS, AJ
    EGDELL, RG
    EVANS, R
    INORGANIC CHEMISTRY, 1980, 19 (05) : 1307 - 1314
  • [6] ELECTRONIC-STRUCTURE IN BENZOTHIAZOLIC SERIES - PHOTOELECTRON-SPECTRA AND CNDO CALCULATIONS
    SALMONA, G
    FAURE, R
    VINCENT, EJ
    COMPTES RENDUS HEBDOMADAIRES DES SEANCES DE L ACADEMIE DES SCIENCES SERIE C, 1975, 280 (10): : 605 - 607
  • [7] PHOTOELECTRON-SPECTRA, MNDO CALCULATIONS AND ELECTRONIC-STRUCTURE OF SOME SATURATED STEROIDS
    TOLIC, LP
    KOVAC, B
    KLASINC, L
    KNOP, JV
    KUBLIGARFIAS, C
    MCGLYNN, SP
    CROATICA CHEMICA ACTA, 1990, 62 (04) : 813 - 823
  • [8] THE ELECTRONIC-STRUCTURE OF HETEROTROPONES - PHOTOELECTRON-SPECTRA AND MOLECULAR-ORBITAL CALCULATIONS
    GLEITER, R
    BISCHOF, P
    BOHM, MC
    GUILARD, R
    YAMAGUCHI, H
    BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN, 1984, 57 (03) : 856 - 861
  • [9] ELECTRONIC-STRUCTURE OF THE LEAD MONOXIDES - BAND-STRUCTURE CALCULATIONS AND PHOTOELECTRON-SPECTRA
    TERPSTRA, HJ
    DEGROOT, RA
    HAAS, C
    PHYSICAL REVIEW B, 1995, 52 (16) : 11690 - 11697
  • [10] APPLICATION OF HELMAN-FEINMAN INTEGRAL THEOREM TO NON-EMPIRICAL CALCULATIONS OF AN ELECTRONIC-STRUCTURE OF MOLECULES
    LYUDCHIK, AM
    KOVRIKOV, AB
    DOKLADY AKADEMII NAUK BELARUSI, 1976, 20 (03): : 215 - 218