ACCURATE LOCAL-SPACE TREATMENT OF HYDROGEN-BONDING IN LARGE SYSTEMS

被引：10

作者：

KIRTMAN, B ^{[1
]}

DEMELO, CP ^{[1
]}

机构：

[1] UNIV FED PERNAMBUCO,DEPT FIS,BR-50000 RECIFE,PE,BRAZIL

来源：

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | 1986年 / 29卷 / 05期

关键词：

D O I：

10.1002/qua.560290519

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

页码：1209 / 1222

页数：14

共 38 条

[1]

[Anonymous], 1954, Z PHYS CHEM

[2] AB-INITIO STUDIES OF HYDROGEN-BONDING BETWEEN PEPTIDE UNITS .4. MUTUAL ORIENTATIONS OF PEPTIDE PLANES [J].

BERTHOD, H ;

PULLMAN, A .

CHEMICAL PHYSICS LETTERS, 1972, 14 (02) :217-&

[3] STUDY OF H+ AND OH- HYDRATED IONS BY CNDO/2 METHOD [J].

DEPAZ, M ;

EHRENSON, S ;

FRIEDMAN, L .

JOURNAL OF CHEMICAL PHYSICS, 1970, 52 (07) :3362-&

[4] A NON-EMPIRICAL STUDY OF HYDROGEN BONDING IN DIMER OF FORMAMIDE [J].

DREYFUS, M ;

MAIGRET, B ;

PULLMAN, A .

THEORETICA CHIMICA ACTA, 1970, 17 (02) :109-&

[5] NON-EMPIRICAL STUDY OF HYDROGEN BOND BETWEEN PEPTIDE UNITS [J].

DREYFUS, M ;

PULLMAN, A .

THEORETICA CHIMICA ACTA, 1970, 19 (01) :20-+

[6]

DYKSTRA CE, 1976, J CHEM PHYS, V65, pC274

[7] NATURAL HYBRID ORBITALS [J].

FOSTER, JP ;

WEINHOLD, F .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1980, 102 (24) :7211-7218

[8] A NEUTRON DIFFRACTION STUDY OF PERDEUTERO-ALPHA-GLYCYLGLYCINE [J].

FREEMAN, HC ;

PAUL, GL ;

SABINE, TM .

ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL CRYSTALLOGRAPHY AND CRYSTAL CHEMISTRY, 1970, B 26 :925-&

[9] VALENCE ELECTRON-DISTRIBUTION IN PERDEUTERIO-ALPHA-GLYCYLGLYCINE - HIGH-RESOLUTION STUDY OF PEPTIDE-BOND [J].

GRIFFIN, JF ;

COPPENS, P .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (12) :3496-3505

[10] SELF-CONSISTENT PROCEDURES FOR GENERALIZED VALENCE BOND WAVEFUNCTIONS - APPLICATIONS H-3, BH, H2O, C2H6, AND O2 [J].

HUNT, WJ ;

HAY, PJ ;

GODDARD, WA .

JOURNAL OF CHEMICAL PHYSICS, 1972, 57 (02) :738-&

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