Role of van der Waals interaction in crystalline ammonia borane

Applied Physics Letters

Volumn 99, Issue 18, 2011, Pages

  Yamauchi, Kunihiko ^a   Hamada, Ikutaro ^b   Huang, Hongbin ^a   Oguchi, Tamio ^a  

^a OSAKA UNIVERSITY   (Japan)

^b TOHOKU UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

AMMONIA BORANE; CALCULATIONAL METHOD; CELL PARAMETER; DENSITY-FUNCTIONAL THEORY CALCULATIONS; DIHYDROGEN BONDS; GENERALIZED GRADIENT APPROXIMATIONS; INTRA-MOLECULAR BONDING; LARGE UNIT CELL; SEMI-EMPIRICAL; VAN DER WAALS INTERACTIONS;

AMMONIA; CRYSTAL STRUCTURE; CRYSTALLINE MATERIALS; DENSITY FUNCTIONAL THEORY; HYDROGEN BONDS; MOLECULAR STRUCTURE;

VAN DER WAALS FORCES;

EID: 80855141639     PISSN: 00036951     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3657526     Document Type: Article

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