Bonding analysis and stability on alternant B16N16 cage and its dimers

Journal of Molecular Modeling

Volumn 14, Issue 9, 2008, Pages 789-795

  Yin, Bing ^a   Wang, Guo ^a   Sa, Niya ^a   Huang, Yuanhe ^a  

^a BEIJING NORMAL UNIVERSITY   (China)

Author keywords

Bonding analysis; DFT; NBO; Relative stability

Indexed keywords

BORON DERIVATIVE; BORON NITRIDE; DIMER; MONOMER; OLIGOMER;

ARTICLE; CALCULATION; CHEMICAL BOND; CHEMICAL STRUCTURE; CONTROLLED STUDY; COVALENT BOND; DECOMPOSITION; DENSITY FUNCTIONAL THEORY; DIMERIZATION; FORECASTING; MOLECULAR STABILITY; PREDICTION; PRIORITY JOURNAL;

BORON; BORON COMPOUNDS; DIMERIZATION; MODELS, CHEMICAL; MODELS, MOLECULAR; NITROGEN;

EID: 48449089254     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-008-0303-2     Document Type: Article

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