Molecular interaction of H2 and H2O molecules with the boron nitride (BN)n=3-5 clusters: A theoretical study

Journal of Molecular Structure: THEOCHEM

Volumn 758, Issue 1, 2006, Pages 9-15

  Nirmala, V ^a   Kolandaivel, P ^a  

^a BHARATHIAR UNIVERSITY   (India)

Author keywords

Atoms in molecules; Boron nitride clusters; Density functional theory; Natural bond orbital

Indexed keywords

EID: 30944449443     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2005.05.033     Document Type: Article

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