Performance of DFT/MPWB1K for stacking and H-bonding interactions

Chemical Physics Letters

Volumn 439, Issue 1-3, 2007, Pages 35-39

  Dkhissi, Ahmed ^a   Blossey, Ralf ^a  

^a INSTITUT D ELECTRONIQUE   (France)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; COMPUTATIONAL METHODS; CORRELATION METHODS; DENSITY FUNCTIONAL THEORY; FUNCTIONAL ASSESSMENT; HYDROGEN BONDS;

AB INITIO CALCULATIONS; HYDROGEN BONDING INTERACTIONS; STACKING INTERACTIONS;

MOLECULAR INTERACTIONS;

EID: 34247528531     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2007.03.065     Document Type: Article

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