LOCALIZATION OF MOLECULAR ORBITALS ANALYSIS OF METHODS AND APPLICATION TO LARGE MOLECULES

被引:0
|
作者
NEWTON, MD
机构
关键词
D O I
暂无
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
收藏
页码:P160 / &
相关论文
共 50 条
  • [41] Charging of Single Molecules Mediated by the Quantum Phase of Molecular Orbitals
    Chen, Gang
    Sun, Rui-Jing
    Wang, Dao-Bo
    Liao, Wen-Ao
    Zhang, Wen-Hao
    Liu, Chao-Fei
    Fu, Ying-Shuang
    JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2025,
  • [42] MOLECULAR-ORBITALS FOR EXCITED-STATES OF ATOMS AND MOLECULES
    COLLE, R
    MONTAGNANI, R
    RIANI, P
    SALVETTI, O
    THEORETICA CHIMICA ACTA, 1978, 48 (03): : 257 - 261
  • [43] Empirical LCAO parameters for molecular orbitals in planar organic molecules
    Hawke, L. G. D.
    Kalosakas, G.
    Simserides, C.
    MOLECULAR PHYSICS, 2009, 107 (17) : 1755 - 1771
  • [44] LOCALIZATION OF MOLECULAR-ORBITALS IN OPEN-SHELL SYSTEMS
    PEETERS, D
    LEROY, G
    BULLETIN DES SOCIETES CHIMIQUES BELGES, 1977, 86 (11): : 833 - 840
  • [45] APPROXIMATE CHARGE-DENSITY LOCALIZATION OF MOLECULAR-ORBITALS
    FIGEYS, HP
    GEERLINGS, P
    RAEYMAEKERS, P
    VANALSENOY, C
    THEORETICA CHIMICA ACTA, 1975, 40 (03): : 253 - 261
  • [46] Externally localized molecular orbitals: A numerical investigation of localization degeneracy
    Scheurer, P.
    Schwarz, W.H.E.
    2000, John Wiley & Sons Inc, New York, NY, USA (76)
  • [47] DENSITY LOCALIZATION OF ATOMIC AND MOLECULAR-ORBITALS .1.
    NIESSEN, WV
    JOURNAL OF CHEMICAL PHYSICS, 1972, 56 (09): : 4290 - &
  • [48] Externally localized molecular orbitals: A numerical investigation of localization degeneracy
    Scheurer, P
    Schwarz, WHE
    INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2000, 76 (03) : 420 - 427
  • [49] Application of the new analysis of molecular spectrums to interesting molecules
    Deslandres, H
    COMPTES RENDUS HEBDOMADAIRES DES SEANCES DE L ACADEMIE DES SCIENCES, 1939, 209 : 612 - 616
  • [50] Application of the new molecular spectra analysis to interesting molecules
    Deslandres, H
    COMPTES RENDUS HEBDOMADAIRES DES SEANCES DE L ACADEMIE DES SCIENCES, 1938, 207 : 753 - 757