ORBITAL OPTIMIZATION TECHNIQUES - COMPARATIVE-STUDY IN A SEMI-EMPIRICAL FRAMEWORK

被引:12
|
作者
ADNAN, SSZ
BHATTACHARYA, S
MUKHERJEE, D
机构
[1] UNIV CALCUTTA,DEPT PURE CHEM,CALCUTTA 700009,INDIA
[2] INDIAN ASSOC CULTIVAT SCI,DEPT PHYS CHEM,CALCUTTA 700032,INDIA
关键词
D O I
10.1002/qua.560140307
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:289 / 297
页数:9
相关论文
共 50 条
  • [41] COMPARATIVE SEMI-EMPIRICAL STUDY OF OXYGEN BINDING TO MODEL IRON COMPLEXES OF PHTHALOCYANINE AND PORPHYRIN
    SABELLI, NH
    MELENDRES, CA
    JOURNAL OF PHYSICAL CHEMISTRY, 1982, 86 (22): : 4342 - 4346
  • [42] Optimization of roll forming process parameters—a semi-empirical approach
    John Paralikas
    Konstantinos Salonitis
    George Chryssolouris
    The International Journal of Advanced Manufacturing Technology, 2010, 47 : 1041 - 1052
  • [43] A semi-empirical treatment planning model for optimization of multiprobe cryosurgery
    Baissalov, R
    Sandison, GA
    Donnelly, BJ
    Saliken, JC
    McKinnon, JG
    Muldrew, K
    Rewcastle, JC
    PHYSICS IN MEDICINE AND BIOLOGY, 2000, 45 (05): : 1085 - 1098
  • [44] A semi-empirical treatment planning model for optimization of multiprobe cryosurgery
    Baissalov, R
    Sandison, GA
    Donnelly, BJ
    Saliken, JC
    Muldrew, K
    Rewcastle, J
    PROCEEDINGS OF THE 22ND ANNUAL INTERNATIONAL CONFERENCE OF THE IEEE ENGINEERING IN MEDICINE AND BIOLOGY SOCIETY, VOLS 1-4, 2000, 22 : 714 - 717
  • [45] SEMI-EMPIRICAL MOLECULAR ORBITAL STUDY OF DICYCLOPENTADIENYLBERYLLIUM (C5H5)2BE
    SUNDBOM, M
    ACTA CHEMICA SCANDINAVICA, 1966, 20 (06): : 1608 - &
  • [46] SPECTRA OF SOME SELECTED THIONES - SEMI-EMPIRICAL MOLECULAR-ORBITAL CALCULATIONS
    ABUEITTAH, R
    ELKOURASHY, A
    INDIAN JOURNAL OF CHEMISTRY SECTION A-INORGANIC BIO-INORGANIC PHYSICAL THEORETICAL & ANALYTICAL CHEMISTRY, 1976, 14 (01): : 6 - 9
  • [47] Toward a transferable parametrization for carbon in a periodic semi-empirical molecular orbital scheme
    De Maria, L
    Peressi, M
    Baroni, S
    THEORETICAL CHEMISTRY ACCOUNTS, 1998, 100 (5-6) : 333 - 338
  • [48] SEMI-EMPIRICAL MOLECULAR-ORBITAL CALCULATIONS ON PI-ELECTRON SYSTEMS
    THURAISINGHAM, RA
    NILAR, SHM
    INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1980, 18 (02) : 397 - 401
  • [50] EVALUATION OF ONE-CENTRE INTEGRALS IN SEMI-EMPIRICAL MOLECULAR ORBITAL THEORY
    OLEARI, L
    DISIPIO, L
    DEMICHEL.G
    MOLECULAR PHYSICS, 1966, 10 (02) : 97 - &