Structure and binding in crystals of cagelike molecules: Hexamine and platonic hydrocarbons

Journal of Chemical Physics

Volumn 132, Issue 13, 2010, Pages

  Berland, Kristian ^a   Hyldgaard, Per ^a  

^a CHALMERS UNIVERSITY OF TECHNOLOGY   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

COHESION ENERGY; DENSITY FUNCTIONALS; FIRST PRINCIPLE CALCULATIONS; HEXAMINES; LATTICE PARAMETERS; PAIR POTENTIAL; RYDBERG; VAN DER WAALS;

ASYMPTOTIC ANALYSIS; BINDING ENERGY; DENSITY FUNCTIONAL THEORY; HYDROCARBONS; MOLECULAR CRYSTALS; VAN DER WAALS FORCES;

CRYSTAL STRUCTURE;

METHENAMINE;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; DIMERIZATION; QUANTUM THEORY; X RAY CRYSTALLOGRAPHY;

CRYSTALLOGRAPHY, X-RAY; DIMERIZATION; METHENAMINE; MODELS, MOLECULAR; MOLECULAR CONFORMATION; QUANTUM THEORY;

EID: 77954603797     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3366652     Document Type: Article

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