CALCULATION OF VAN DER WAALS INTERACTIONS AND HYDROGEN BONDING IN CRYSTALS

被引：188

作者：

GIGLIO, E

机构：

来源：

NATURE | 1969年 / 222卷 / 5191期

关键词：

D O I：

10.1038/222339a0

中图分类号：

O [数理科学和化学]; P [天文学、地球科学]; Q [生物科学]; N [自然科学总论];

学科分类号：

07 ; 0710 ; 09 ;

摘要：

The coordinates of the dimethylglyoxime atoms in the crystal structure may be predicted by locating the deepest minimum of the potential energy which depends on three rotational degrees of freedom. Standard bond distances and bond angles have been assigned to the molecule and the space group symmetries have been assumed known. © 1969 Nature Publishing Group.

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页码：339 / &

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共 19 条

[1] ON THE EFFECTS OF INTRAMOLECULAR VANDERWAALS FORCES [J].

BARTELL, LS .

JOURNAL OF CHEMICAL PHYSICS, 1960, 32 (03) :827-831

[2] CALCULATION OF CRYSTAL PACKING - A NOVEL APPROACH TO PHASE PROBLEM [J].

DAMIANI, A ;

GIGLIO, E ;

LIQUORI, AM ;

MAZZARELL, L .

NATURE, 1967, 215 (5106) :1161-+

[3] ROLE OF VAN DER WAALS INTERACTION ON HINDERED ROTATION ABOUT SINGLE BONDS IN SIMPLE MOLECULES [J].

DECOEN, JL ;

ELEFANTE, G ;

LIQUORI, AM ;

DAMIANI, A .

NATURE, 1967, 216 (5118) :910-&

[4] VAN DER WAALS INTERACTION AND STABILITY OF HELICAL POLYPEPTIDE CHAINS [J].

DESANTIS, P ;

GIGLIO, E ;

LIQUORI, AM ;

RIPAMONT.A .

NATURE, 1965, 206 (4983) :456-&

[5] STABILITY OF HELICAL CONFORMATIONS OF SIMPLE LINEAR POLYMERS [J].

DESANTIS, P ;

GIGLIO, E ;

LIQUORI, AM ;

RIPAMONTI, A .

JOURNAL OF POLYMER SCIENCE PART A-GENERAL PAPERS, 1963, 1 (04) :1383-&

[6] CONFORMATIONAL ANALYSIS OF SOME LINEAR POLYMERS IN SOLID STATE [J].

DESANTIS, P ;

RIPAMONTI, A ;

GIGLIO, E ;

LIQUORI, AM .

NUOVO CIMENTO, 1962, 26 (03) :616-+

[7] VAN DER WAALS INTERACTIONS AND PACKING OF MOLECULAR CRYSTALS .4. ORTHORHOMBIC SULPHUR [J].

GIGLIO, E ;

LIQUORI, AM ;

MAZZARELLA, L .

NUOVO CIMENTO B, 1968, 56 (01) :57-+

[8] VAN DER WAALS INTERACTION AND PACKING OF MOLECULAR CRYSTALS [J].

GIGLIO, E ;

LIQUORI, AM .

ACTA CRYSTALLOGRAPHICA, 1967, 22 :437-&

[9]

GOLDSTEIN H, CLASSICAL MECHANICS

[10] A NEUTRON DIFFRACTION REFINEMENT OF CRYSTAL STRUCTURE OF DIMETHYLGLYOXIME [J].

HAMILTON, WC .

ACTA CRYSTALLOGRAPHICA, 1961, 14 (02) :95-&