Characterization of O-H...O interactions in linear and cyclic clusters of boric acid: An ab initio, DFT, QTAIM and NBO study

Computational and Theoretical Chemistry

Volumn 974, Issue 1-3, 2011, Pages 66-75

  Esrafili, Mehdi D ^a   Alizadeh, Vahideh ^b  

^a UNIVERSITY OF MARAGHEH   (Iran)

^b ISLAMIC AZAD UNIVERSITY   (Iran)

Author keywords

Cooperative effects; EDA; Hydrogen bond; M06; NBO; QTAIM

Indexed keywords

EID: 84555190763     PISSN: 2210271X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.comptc.2011.07.019     Document Type: Article

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