Bond paths show preferable interactions: Ab initio and QTAIM studies on the X-H⋯π hydrogen bond

Journal of Physical Chemistry A

Volumn 114, Issue 26, 2010, Pages 7223-7229

  Grabowski, Sławomir J ^a,b   Ugalde, Jesus M ^a  

^a UNIVERSITY OF THE BASQUE COUNTRY UPV EHU   (Spain)

^b BASQUE FOUNDATION FOR SCIENCE   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO; ATOMS IN MOLECULES; BOND PATHS; IMAGINARY FREQUENCY; LATTER COMPLEXES; LEWIS ACID; LEWIS BASIS;

ACIDS; HYDROFLUORIC ACID; HYDROGEN; HYDROGEN BONDS; QUANTUM COMPUTERS; QUANTUM THEORY;

COMPLEXATION;

HALOGEN;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; HYDROGEN BOND; QUANTUM THEORY; THERMODYNAMICS;

HALOGENS; HYDROGEN BONDING; MODELS, MOLECULAR; MOLECULAR CONFORMATION; QUANTUM THEORY; THERMODYNAMICS;

EID: 77954325011     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp103047p     Document Type: Article

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