Extension of the MST model to the IEF formalism: HF and B3LYP parametrizations

Journal of Molecular Structure: THEOCHEM

Volumn 727, Issue 1-3 SPEC. ISS., 2005, Pages 29-40

  Soteras, Ignacio ^a   Curutchet, Carles ^a   Bidon Chanal, Axel ^a   Orozco, Modesto ^a   Javier Luque, F ^a  

^a UNIVERSITY OF BARCELONA   (Spain)

Author keywords

Continuum methods; IEF formalism; MST model; Solvation

Indexed keywords

EID: 84962355982     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2005.02.029     Document Type: Article

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