SCF DETERMINATION OF GROUND AND EXCITED STATES OF NO2

被引：49
|
作者：
FINK, WH
机构：
来源：
JOURNAL OF CHEMICAL PHYSICS | 1968年 / 49卷 / 11期
关键词：
D O I：
10.1063/1.1669998
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：5054 / &
相关论文
共 50 条
  • [31] SCF WAVEFUNCTIONS AND ENERGIES FOR VALENCE STATES AND EXCITED-STATES OF CARBON AND NITROGEN
    OFFENHARTZ, PO
    CHEMICAL PHYSICS LETTERS, 1973, 21 (02) : 388 - 394
  • [32] Protonation of 2-quinolylthiazoles in the ground and excited states in ethanol
    Volchkov, VV
    Gromov, SP
    Uzhinov, BA
    Alfimov, MV
    RUSSIAN CHEMICAL BULLETIN, 2001, 50 (07) : 1186 - 1189
  • [33] THE GROUND, EXCITED, AND NEGATIVELY IONIZED STATES OF FE-2
    TOMONARI, M
    TATEWAKI, H
    JOURNAL OF CHEMICAL PHYSICS, 1988, 88 (03): : 1828 - 1836
  • [34] Protonation of 2-quinolylthiazoles in the ground and excited states in ethanol
    V. V. Volchkov
    S. P. Gromov
    B. M. Uzhinov
    M. V. Alfimov
    Russian Chemical Bulletin, 2001, 50 : 1186 - 1189
  • [35] TEST APPLICATIONS OF A NEW SCF METHOD FOR EXCITED-STATES
    COLLE, R
    FORTUNELLI, A
    SALVETTI, O
    THEORETICA CHIMICA ACTA, 1989, 75 (05): : 323 - 331
  • [36] A GENERAL SCF METHOD FOR EXCITED-STATES - MOLECULAR APPLICATIONS
    COLLE, R
    FORTUNELLI, A
    SALVETTI, O
    QUANTUM CHEMISTRY : BASIC ASPECTS, ACTUAL TRENDS, 1989, 62 : 327 - 342
  • [37] Pseudopotential study of the ground and excited states of Yb2
    Wang, YX
    Dolg, M
    THEORETICAL CHEMISTRY ACCOUNTS, 1998, 100 (1-4) : 124 - 133
  • [38] Pseudopotential study of the ground and excited states of Yb2
    Yixuan Wang
    Michael Dolg
    Theoretical Chemistry Accounts, 1998, 100 : 124 - 133
  • [39] Influence of stacking on the ground and excited states of 2-aminopyridine
    Gupta, Ashutosh
    Mishra, Brijesh Kumar
    Sathyamurthy, Narayanasami
    COMPUTATIONAL AND THEORETICAL CHEMISTRY, 2019, 1148 : 60 - 66
  • [40] Non-adiabatic molecular dynamics with ΔSCF excited states
    Pradhan, Ekadashi
    Sato, Kosuke
    Akimov, Alexey, V
    JOURNAL OF PHYSICS-CONDENSED MATTER, 2018, 30 (48)
12345