VERTICAL ELECTRONIC-SPECTRA OF THE ISOVALENT MOLECULES H2CNH, H2SINH, H2CPH, AND H2SIPH ON THE BASIS OF MRD-CI CALCULATIONS

被引:58
作者
BRUNA, PJ
KRUMBACH, V
PEYERIMHOFF, SD
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D O I
10.1139/v85-270
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O6 [化学];
学科分类号
0703 ;
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页码:1594 / 1608
页数:15
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  • [1] LOW-LYING ELECTRONIC STATES OF CSI- AND ELECTRON-AFFINITY OF CSI ACCORDING TO ABINITIO MRD-CI CALCULATIONS
    ANGLADA, J
    BRUNA, PJ
    PEYERIMHOFF, SD
    BUENKER, RJ
    [J]. JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 1983, 16 (14) : 2469 - 2484
  • [2] [Anonymous], 1981, ANGEW CHEM, V93, P771
  • [3] THE RELATIVE STABILITY OF 2-SIGMA+ AND 2-PI STATES IN THE SYSTEMS CSI-, SI2-, SIP AND P-2+ AS PREDICTED IN MRD-CI CALCULATIONS
    BRUNA, PJ
    DOHMANN, H
    ANGLADA, J
    KRUMBACH, V
    PEYERIMHOFF, SD
    BUENKER, RJ
    [J]. JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 1983, 10 : 309 - 318
  • [4] NON-EMPIRICAL SCF AND CI STUDY OF GROUND AND EXCITED-STATES OF THIOFORMALDEHYDE
    BRUNA, PJ
    PEYERIMHOFF, SD
    BUENKER, RJ
    [J]. CHEMICAL PHYSICS, 1974, 3 (01) : 35 - 53
  • [5] THE GROUND-STATE OF THE CN+ ION - A MULTI-REFERENCE CI STUDY
    BRUNA, PJ
    PEYERIMHOFF, SD
    BUENKER, RJ
    [J]. CHEMICAL PHYSICS LETTERS, 1980, 72 (02) : 278 - 284
  • [6] THEORETICAL PREDICTION OF THE POTENTIAL CURVES FOR THE LOWEST-LYING STATES OF THE ISOVALENT DIATOMICS CN+, SI-2, SIC, CP+, AND SIN+ USING THE ABINITIO MRD-CL METHOD
    BRUNA, PJ
    PEYERIMHOFF, SD
    BUENKER, RJ
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1980, 72 (10) : 5437 - 5445
  • [7] BRUNA PJ, 1983, B SOC CHIM BELG, V92, P525
  • [8] THEORETICAL PREDICTION OF ELECTRONIC-SPECTRUM OF THIOACETONE AND COMPARISON WITH RELATED SYSTEMS
    BRUNA, PJ
    BUENKER, RJ
    PEYERIMHOFF, SD
    [J]. CHEMICAL PHYSICS, 1977, 22 (03) : 375 - 382
  • [9] MULTIREFERENCE (SINGLE) AND DOUBLE-EXCITATION - CONFIGURATION-INTERACTION (MRD-CI) STUDY OF THE RADICALS CN, SIN, AND SIP, AND THE LINEAR STRUCTURES OF HSIP AND SIPH IN THEIR ELECTRONIC GROUND AND VARIOUS EXCITED-STATES
    BRUNA, PJ
    DOHMANN, H
    PEYERIMHOFF, SD
    [J]. CANADIAN JOURNAL OF PHYSICS, 1984, 62 (12) : 1508 - 1523
  • [10] BRUNA PJ, 1977, PROGR ORGANIC CHEM, V2, P401