INPLANE FORCE-CONSTANTS OF THE PEPTIDE GROUP - LEAST-SQUARES ADJUSTMENT STARTING FROM ABINITIO VALUES OF N-METHYLACETAMIDE

被引:44
作者
SUGAWARA, Y [1 ]
HIRAKAWA, AY [1 ]
TSUBOI, M [1 ]
机构
[1] UNIV TOKYO,FAC PHARMACEUT SCI,BUNKYO KU,TOKYO 113,JAPAN
关键词
D O I
10.1016/0022-2852(84)90179-6
中图分类号
O64 [物理化学(理论化学)、化学物理学]; O56 [分子物理学、原子物理学];
学科分类号
070203 ; 070304 ; 081704 ; 1406 ;
摘要
引用
收藏
页码:206 / 214
页数:9
相关论文
共 22 条
  • [1] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .9. EXTENDED GAUSSIAN-TYPE BASIS FOR MOLECULAR-ORBITAL STUDIES OF ORGANIC MOLECULES
    DITCHFIELD, R
    HEHRE, WJ
    POPLE, JA
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1971, 54 (02) : 724 - +
  • [2] FORCE-FIELD IN THE METHYLAMINE MOLECULE FROM ABINITIO MO CALCULATION
    HAMADA, Y
    TANAKA, N
    SUGAWARA, Y
    HIRAKAWA, AY
    TSUBOI, M
    KATO, S
    MOROKUMA, K
    [J]. JOURNAL OF MOLECULAR SPECTROSCOPY, 1982, 96 (02) : 313 - 330
  • [3] HELLWEGE KH, 1976, LANDOLTBORNSTEIN NUM, V7, P179
  • [4] ITOH K, 1966, THESIS U TOKYO JAPAN
  • [5] VALENCE FORCE FIELD FOR AMIDE GROUP
    JAKES, J
    KRIMM, S
    [J]. SPECTROCHIMICA ACTA PART A-MOLECULAR SPECTROSCOPY, 1971, A 27 (01): : 19 - &
  • [6] THE CRYSTAL STRUCTURE AND POLYMORPHISM OF NORMAL-METHYL ACETAMIDE
    KATZ, JL
    POST, B
    [J]. ACTA CRYSTALLOGRAPHICA, 1960, 13 (08): : 624 - 628
  • [7] DEFORMATION ELECTRON-DENSITY OF ALPHA-GLYCYLGLYCINE AT 82 K .1. NEUTRON-DIFFRACTION STUDY
    KVICK, A
    ALKARAGHOULI, AR
    KOETZLE, TF
    [J]. ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE, 1977, 33 (DEC): : 3796 - 3801
  • [8] Marsh R E, 1967, Adv Protein Chem, V22, P235, DOI 10.1016/S0065-3233(08)60042-X
  • [9] MOROKUMA K, 1980, UNPUB IMS COMPUTER C
  • [10] PULAY P, 1977, APPLICATIONS ELECTRO, pCH4