Calculation of the binding energies of different types of hydrogen bonds using GGA density functional and its long-range, empirical dispersion correction methods

Wuli Huaxue Xuebao/ Acta Physico - Chimica Sinica

Volumn 27, Issue 11, 2011, Pages 2553-2558

  Sun, Tao ^a   Wang, Yi Bo ^b  

^a Key Laboratory of Chemistry for Natural Products of Guizhou Province   (China)

^b GUIZHOU UNIVERSITY   (China)

Author keywords

Basis set; Basis set superposition error; Density functional theory; Hydrogen bond; Intermolecular interaction

Indexed keywords

EID: 82155186027     PISSN: 10006818     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

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