Charge density analysis and topological properties of Hal 3-synthons and their comparison with competing hydrogen bonds

Crystal Growth and Design

Volumn 12, Issue 11, 2012, Pages 5373-5386

  Brezgunova, Mariya E ^a,b   Aubert, Emmanuel ^a,b   Dahaoui, Slimane ^a,b   Fertey, Pierre ^c   Lebègue, Sébastien ^a,b   Jelsch, Christian ^a,b   Ángyán, János G ^a,b   Espinosa, Enrique ^a,b  

^a UNIVERSITÉ DE LORRAINE   (France)

^b Nancy University CNRS   (France)

^c SYNCHROTRON SOLEIL   (France)

Author keywords

[No Author keywords available]

Indexed keywords

CHARGE CONCENTRATION; CHARGE DEPLETION; CHARGE-DENSITY ANALYSIS; CRITICAL POINTS; ELECTROSTATIC DESCRIPTORS; ENERGETIC PROPERTIES; GAS PHASIS; HALOGEN ATOMS; HEXABROMOBENZENE; HEXACHLOROBENZENE; INTERACTION ENERGIES; LAPLACIAN VALUES; STRONG DISPERSION; SYNTHONS; TOPOLOGICAL PROPERTIES; VALENCE SHELLS;

BROMINE; CHARGE DENSITY; CHLORINE; CRYSTAL ATOMIC STRUCTURE; OLIGOMERS; PHENOLS; TOPOLOGY;

HYDROGEN BONDS;

EID: 84868675308     PISSN: 15287483     EISSN: 15287505     Source Type: Journal    
DOI: 10.1021/cg300978x     Document Type: Article

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