Blue-shifting C-H...Y intramolecular hydrogen bonds - DFT and AIM analyses

Chemical Physics

Volumn 309, Issue 2-3, 2005, Pages 183-188

  Wojtulewski, Sławomir ^a   Grabowski, Sławomir J ^b  

^a UNIVERSITY OF BIALYSTOK   (Poland)

^b UNIVERSITY OF LODZ   (Poland)

Author keywords

Blue shifted hydrogen bonds; C H...Y intramolecular interactions; DFT method; The Bader theory

Indexed keywords

ARTICLE; DENSITY FUNCTIONAL THEORY; GEOMETRY; HYDROGEN BOND; INFRARED RADIATION; MATHEMATICAL ANALYSIS; MATHEMATICAL MODEL; PROTON TRANSPORT;

EID: 12944322634     PISSN: 03010104     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chemphys.2004.09.008     Document Type: Article

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