Assessing the reliability of van der Waals DFT functionals to study the physisorption of molecular hydrogen on aromatic systems

Theoretical Chemistry Accounts

Volumn 134, Issue 9, 2015, Pages

  Díaz, Cristina ^a  

^a UNIVERSIDAD AUTÓNOMA DE MADRID   (Spain)

Author keywords

DFT; Hydrogen; Physisorption; van der Waals functionals

Indexed keywords

EID: 84939218082     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-015-1712-9     Document Type: Article

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