MRD CI CALCULATIONS ON THE ASYMMETRIC STRETCH POTENTIALS OF H2O IN THE GROUND AND THE 1ST 7 SINGLET EXCITED-STATES

被引：62
|
作者：
THEODORAKOPOULOS, G [1 ]
PETSALAKIS, ID [1 ]
BUENKER, RJ [1 ]
机构：
[1] BERG UNIV,GESAMTHSCH WUPPERTAL,LEHRSTUHL THEORET CHEM,D-5600 WUPPERTAL 1,FED REP GER
来源：
CHEMICAL PHYSICS | 1985年 / 96卷 / 02期
关键词：
D O I：
10.1016/0301-0104(85)85086-2
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：217 / 225
页数：9
相关论文
共 50 条
  • [41] SCF SCHEME FOR EXCITED-STATES AND ANALYSIS OF ORBITAL RELAXATION EFFECT FOR H2O AND FNO
    MROZEK, J
    GOLEBIEWSKI, A
    INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1977, 12 (01) : 207 - 213
  • [42] AN ABINITIO STUDY OF SYMMETRY-BREAKING IN CALCULATIONS ON THE 1ST EXCITED SINGLET-STATE OF N2H2
    DELBENE, JE
    KIM, KS
    SHAVITT, I
    CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE, 1991, 69 (02): : 246 - 250
  • [43] STATE-SPECIFIC MULTIREFERENCE MOLLER-PLESSET PERTURBATION TREATMENT FOR SINGLET AND TRIPLET EXCITED-STATES, IONIZED STATES AND ELECTRON ATTACHED STATES OF H2O
    HIRAO, K
    CHEMICAL PHYSICS LETTERS, 1993, 201 (1-4) : 59 - 66
  • [44] RADIATIVE PROTON CAPTURE TO GROUND-STATE AND 1ST 3 EXCITED-STATES OF C-12
    SNOVER, KA
    PAUL, P
    KUAN, HM
    NUCLEAR PHYSICS A, 1977, 285 (02) : 189 - 197
  • [45] THE TORSIONAL SPECTRA OF JET-COOLED METHYL-SUBSTITUTED INDOLES IN THE GROUND AND 1ST EXCITED-STATES
    BICKEL, GA
    LEACH, GW
    DEMMER, DR
    HAGER, JW
    WALLACE, SC
    JOURNAL OF CHEMICAL PHYSICS, 1988, 88 (01): : 1 - 8
  • [46] THE TORSIONAL SPECTRA OF JET-COOLED METHYL-SUBSTITUTED INDOLES IN THE GROUND AND 1ST EXCITED-STATES
    BICKEL, GA
    LEACH, GW
    DEMMER, DR
    HAGER, JW
    WALLACE, SC
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1988, 195 : 125 - PHYS
  • [47] DYNAMICS OF PHOTOFRAGMENTATION OF DIMETHYLNITROSAMINE FROM ITS 1ST 2 EXCITED SINGLET-STATES
    LAVI, R
    ROSENWAKS, S
    JOURNAL OF CHEMICAL PHYSICS, 1988, 89 (03): : 1416 - 1426
  • [48] MAGNETIC-MOMENTS OF 2+ 1ST EXCITED-STATES OF EVEN IRON ISOTOPES
    BRENNAN, JM
    BENCZERKOLLER, N
    HASS, M
    KING, HT
    PHYSICAL REVIEW C, 1977, 16 (02): : 899 - 901
  • [49] THE STRUCTURE OF BO2 IN ITS GROUND AND LOW-LYING EXCITED-STATES FROM ABINITIO SCF RHF AND CI CALCULATIONS
    CSASZAR, P
    KOSMUS, W
    PANCHENKO, YN
    CHEMICAL PHYSICS LETTERS, 1986, 129 (03) : 282 - 285
  • [50] CORE-HOLE EXCITED-STATES OF H2O - SYMMETRIES AND RELATIVE OSCILLATOR-STRENGTHS
    KIM, DY
    LEE, K
    MA, CI
    MAHALINGAM, M
    HANSON, DM
    HULBERT, SL
    JOURNAL OF CHEMICAL PHYSICS, 1992, 97 (08): : 5915 - 5918
12345