A DFT-D evaluation of the complexation of a molecular tweezer with small aromatic molecules

Chemical Physics Letters

Volumn 522, Issue , 2012, Pages 11-16

  Graton, Jérôme ^a   Le Questel, Jean Yves ^a   Legouin, Béatrice ^b   Uriac, Philippe ^b   Van De Weghe, Pierre ^b   Jacquemin, Denis ^a  

^a UNIVERSITÉ DE NANTES   (France)

^b UNIVERSITÉ DE RENNES 1   (France)

Author keywords

[No Author keywords available]

Indexed keywords

AROMATIC COMPOUNDS; AROMATIZATION; ASSOCIATION REACTIONS; BINDING ENERGY; DISPERSIONS; MOLECULES; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY;

AROMATIC MOLECULES; COMPLEXATION ENERGY; DISPERSION CONTRIBUTION; DISPERSION-CORRECTED DENSITY FUNCTIONAL; MOLECULAR TWEEZERS; NMR EXPERIMENTS; STRUCTURAL PARAMETER; STRUCTURE AND PROPERTIES;

DENSITY FUNCTIONAL THEORY;

EID: 84855510074     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2011.11.076     Document Type: Article

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