INTERMOLECULAR POTENTIALS FROM CRYSTAL DATA .5. DETERMINATION OF EMPIRICAL POTENTIALS FOR O-H...O HYDROGEN-BONDS FROM PACKING CONFIGURATIONS AND LATTICE ENERGIES OF POLYHYDRIC ALCOHOLS

被引：20

作者：

NEMETHY, G ^{[1
]}

SCHERAGA, HA ^{[1
]}

机构：

[1] CORNELL UNIV,DEPT CHEM,ITHACA,NY 14853

来源：

JOURNAL OF PHYSICAL CHEMISTRY | 1977年 / 81卷 / 09期

关键词：

D O I：

10.1021/j100524a025

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：928 / 931

页数：4

共 11 条

[1] THE VAPOUR PRESSURE AND LATTICE ENERGY OF HYDROGEN-BONDED CRYSTALS .2. ALPHA-ANHYDROUS AND BETA-ANHYDROUS OXALIC ACID AND TETRAGONAL PENTAERYTHRITOL [J].

BRADLEY, RS ;

COTSON, S .

JOURNAL OF THE CHEMICAL SOCIETY, 1953, (JUN) :1684-1688

[2] ALPHA-D-GLUCOSE - DETERMINATION OF CRYSTAL AND MOLECULAR STRUCTURE BY NEUTRON-DIFFRACTION ANALYSIS [J].

BROWN, GM ;

LEVY, HA .

SCIENCE, 1965, 147 (3661) :1038-&

[3]

MCDONALD TRR, 1962, ACTA CRYSTALLOGR, V5, P654

[4] ENERGY PARAMETERS IN POLYPEPTIDES .5. EMPIRICAL HYDROGEN-BOND POTENTIAL FUNCTION BASED ON MOLECULAR-ORBITAL CALCULATIONS [J].

MCGUIRE, RF ;

SCHERAGA, HA ;

MOMANY, FA .

JOURNAL OF PHYSICAL CHEMISTRY, 1972, 76 (03) :375-&

[5] INTERMOLECULAR POTENTIALS FROM CRYSTAL DATA .3. DETERMINATION OF EMPIRICAL POTENTIALS AND APPLICATION TO PACKING CONFIGURATIONS AND LATTICE ENERGIES IN CRYSTALS OF HYDROCARBONS, CARBOXYLIC-ACIDS, AMINES, AND AMIDES [J].

MOMANY, FA ;

CARRUTHERS, LM ;

MCGUIRE, RF ;

SCHERAGA, HA .

JOURNAL OF PHYSICAL CHEMISTRY, 1974, 78 (16) :1595-1620

[6] ENERGY PARAMETERS IN POLYPEPTIDES .7. GEOMETRIC PARAMETERS, PARTIAL ATOMIC CHARGES, NONBONDED INTERACTIONS, HYDROGEN-BOND INTERACTIONS, AND INTRINSIC TORSIONAL POTENTIALS FOR NATURALLY OCCURRING AMINO-ACIDS [J].

MOMANY, FA ;

MCGUIRE, RF ;

BURGESS, AW ;

SCHERAGA, HA .

JOURNAL OF PHYSICAL CHEMISTRY, 1975, 79 (22) :2361-2381

[7]

Nitta I., 1950, P JAPAN ACAD, V26, P11

[8] CRYSTAL STRUCTURE AND LATTICE ENERGY OF I-ERYTHRITOL .1. CRYSTAL STRUCTURE OF I-ERYTHRITOL [J].

SHIMADA, A .

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN, 1959, 32 (04) :325-329

[9] A REFINEMENT OF THE CRYSTAL STRUCTURE OF PENTAERYTHRITOL [J].

SHIONO, R ;

CRUICKSHANK, DWJ ;

COX, EG .

ACTA CRYSTALLOGRAPHICA, 1958, 11 (06) :389-391

[10]

VANKONINGSVELD H, 1968, RECL TRAV CHIM PAY-B, V87, P243

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