AB-INITIO CALCULATIONS ON LARGE MOLECULES USING MOLECULAR FRAGMENTS - POLYPEPTIDES OF GLYCINE

被引：36

作者：

SHIPMAN, LL ^{[1
]}

CHRISTOFFERSEN, RE ^{[1
]}

机构：

[1] UNIV KANSAS, DEPT CHEM, LAWRENCE, KS 66044 USA

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 1973年 / 95卷 / 14期

关键词：

D O I：

10.1021/ja00795a043

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：4733 / 4744

页数：12

共 104 条

[1] VALENCE ELECTRON DENSITY DISTRIBUTION OF HYDROGEN BONDED SYSTEMS IN ITERATIVE EXTENDED HUCKEL APPROACH .2. DIMER OF FORMAMIDE [J].

ALMLOF, J ;

MARTENSS.O .

ACTA CHEMICA SCANDINAVICA, 1971, 25 (01) :355-&

[2]

[Anonymous], PROTEINS

[3]

[Anonymous], 1968, ELEMENTARY QUANTUM C

[4]

[Anonymous], 1954, B CHEM SOC JPN

[5] STRUCTURE OF POLYGLYCINE [J].

BAMFORD, CH ;

BROWN, L ;

CANT, EM ;

ELLIOTT, A ;

HANBY, WE ;

MALCOLM, BR .

NATURE, 1955, 176 (4478) :396-397

[6] ELECTRONIC STATES OF AMIDE GROUP [J].

BASCH, H ;

ROBIN, MB ;

KUEBLER, NA .

JOURNAL OF CHEMICAL PHYSICS, 1967, 47 (04) :1201-&

[7]

Bernhard S., 1968, STRUCTURE FUNCTION E

[8] VALENCE-SHELL CALCULATIONS ON POLYATOMIC MOLECULES .3. CALCULATION OF DIPOLE MOMENTS AND STRUCTURE OF SYDNONE [J].

BLOOR, JE ;

GILSON, BR ;

BILLINGS.FP .

THEORETICA CHIMICA ACTA, 1968, 12 (05) :360-+

[9] N- VERSUS O-PROTON AFFINITIES OF AMIDE GROUP - AB-INITIO ELECTROSTATIC MOLECULAR POTENTIALS [J].

BONACCORSI, R ;

TOMASI, J ;

SCROCCO, E ;

PULLMAN, A .

CHEMICAL PHYSICS LETTERS, 1972, 12 (04) :622-+

[10] Photoelectron spectroscopy of simple amides and carboxylic acids [J].

Brundle, C. R. ;

Turner, D. W. ;

Robin, M. B. ;

Basch, H. .

CHEMICAL PHYSICS LETTERS, 1969, 3 (05) :292-296

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