A comparative study of modern and robust computational methods applied to π-complexes of moderate size: The case of the ethene/benzenium ion complex

Chemical Physics Letters

Volumn 468, Issue 4-6, 2009, Pages 138-142

  Sancho Garcia J C ^a  

^a UNIVERSITY OF ALICANTE   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

FUNCTIONS; QUANTUM CHEMISTRY;

BASIS SETS; CHEMICAL CALCULATIONS; COMPARATIVE STUDIES; DFT STUDIES; DISPERSION CORRECTIONS; ENERGY DIFFERENCES; ENERGY SURFACES; HYBRID FUNCTIONALS; ION COMPLEXES; IR SIGNATURES; PAIR CORRELATION EFFECTS; SUPERPOSITION ERRORS;

IONS;

EID: 58149394738     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2008.12.009     Document Type: Article

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