MODIFIED SEMI-EMPIRICAL APPROACH TO THE QUANTUM CHEMICAL CALCULATIONS OF MOLECULES

被引:0
|
作者
KARELSON, MM
机构
来源
ORGANIC REACTIVITY | 1980年 / 17卷 / 01期
关键词
D O I
暂无
中图分类号
O62 [有机化学];
学科分类号
070303 ; 081704 ;
摘要
引用
下载
收藏
页码:5 / 10
页数:6
相关论文
共 50 条
  • [31] SEMI-EMPIRICAL APPROACH TO MULTIPLET RESOLUTION
    RITTER, GL
    CURRIE, LA
    TRANSACTIONS OF THE AMERICAN NUCLEAR SOCIETY, 1978, 28 : 4 - 5
  • [32] THE STEREOELECTRONIC CONTROL - A SEMI-EMPIRICAL APPROACH
    KABBAJTAZI, OK
    LHAMYANICHRAIBI, M
    ARRIAU, J
    GELIZEDUVIGNEAU, M
    ELGUERO, E
    ELGUERO, J
    ANALES DE QUIMICA SERIE C-QUIMICA ORGANICA Y BIOQUIMICA, 1988, 84 (03): : 317 - 322
  • [33] Reactions between atoms and small molecules: Matrix isolation ESR and semi-empirical SCF calculations
    Kasai, PH
    SECOND INTERNATIONAL CONFERENCE ON LOW TEMPERATURE CHEMISTRY, 1996, : 15 - 15
  • [34] Theoretical CD spectrum evaluation of the indolylfulgide molecules by using semi-empirical molecular orbital calculations
    Ankai, E
    Sakakibara, K
    Uchida, S
    Uchida, Y
    Yokoyama, Y
    Yokoyama, Y
    BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN, 2001, 74 (06) : 1101 - 1108
  • [35] SEMI-EMPIRICAL MO-CI CALCULATIONS ON EXCITED STATES .4. UNSATURATED MOLECULES
    SALAHUB, DR
    THEORETICA CHIMICA ACTA, 1971, 22 (04): : 330 - +
  • [36] SEMI-EMPIRICAL MOLECULAR ORBITAL CALCULATIONS ON ACIDIC HYDROCARBONS
    LO, DH
    WHITEHEA.MA
    JOURNAL OF THE CHEMICAL SOCIETY A -INORGANIC PHYSICAL THEORETICAL, 1969, (10): : 1513 - &
  • [37] Oxygen defect in silicon studied by semi-empirical calculations
    Ballo, P.
    Harmatha, L.
    Donoval, D.
    COMPUTATIONAL MATERIALS SCIENCE, 2008, 42 (02) : 380 - 384
  • [38] Semi-empirical anharmonic vibrational calculations of astrochemical species
    Layfield, Joshua
    Fortenberry, Ryan
    Lee, Timothy
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2019, 257
  • [39] Semi-empirical calculations for the ranges of fast ions in silicon
    Belkova, Yu A.
    Teplova, Ya A.
    RADIATION EFFECTS AND DEFECTS IN SOLIDS, 2018, 173 (3-4): : 175 - 183
  • [40] Semi-empirical calculations for the electronic structure of Schiff base
    Tandon, HC
    ASIAN JOURNAL OF CHEMISTRY, 2001, 13 (01) : 372 - 374