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

来源：

JOURNAL OF MOLECULAR SPECTROSCOPY | 1984年 / 108卷 / 02期

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

页码：206 / 214

页数：9

共 22 条

[1] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .9. EXTENDED GAUSSIAN-TYPE BASIS FOR MOLECULAR-ORBITAL STUDIES OF ORGANIC MOLECULES [J].

DITCHFIELD, R ;

HEHRE, WJ ;

POPLE, JA .

JOURNAL OF CHEMICAL PHYSICS, 1971, 54 (02) :724-+

[2] FORCE-FIELD IN THE METHYLAMINE MOLECULE FROM ABINITIO MO CALCULATION [J].

HAMADA, Y ;

TANAKA, N ;

SUGAWARA, Y ;

HIRAKAWA, AY ;

TSUBOI, M ;

KATO, S ;

MOROKUMA, K .

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 [J].

JAKES, J ;

KRIMM, S .

SPECTROCHIMICA ACTA PART A-MOLECULAR SPECTROSCOPY, 1971, A 27 (01) :19-&

[6] THE CRYSTAL STRUCTURE AND POLYMORPHISM OF NORMAL-METHYL ACETAMIDE [J].

KATZ, JL ;

POST, B .

ACTA CRYSTALLOGRAPHICA, 1960, 13 (08) :624-628

[7] DEFORMATION ELECTRON-DENSITY OF ALPHA-GLYCYLGLYCINE AT 82 K .1. NEUTRON-DIFFRACTION STUDY [J].

KVICK, A ;

ALKARAGHOULI, AR ;

KOETZLE, TF .

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

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