Comparative study of benzene⋯X (X = O2, N2, CO) complexes using density functional theory: The importance of an accurate exchange-correlation energy density at high reduced density gradients

Journal of Physical Chemistry A

Volumn 101, Issue 42, 1997, Pages 7818-7825

  Wesolowski, T A ^a   Parisel, O ^a   Ellinger, Y ^b   Weber, J ^a  

^a UNIVERSITY OF GENEVA   (Switzerland)

^b ECOLE NORMALE SUPÉRIEURE   (France)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; CARBON MONOXIDE; CHEMICAL BONDS; COMPLEXATION; NITROGEN; OXYGEN; VAN DER WAALS FORCES;

DENSITY FUNCTIONAL THEORY; REDUCED DENSITY GRADIENTS;

BENZENE;

EID: 0031250361     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp970586k     Document Type: Review

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