Protonated serotonin conformational landscape in vacuo and in aqueous solution (IEF-PCM): Role of correlation effects and monohydration

Journal of Molecular Structure: THEOCHEM

Volumn 769, Issue 1-3, 2006, Pages 123-134

  Alagona, Giuliano ^a   Ghio, Caterina ^a  

^a CNR   (Italy)

Author keywords

6 311++G** basis set; 6 31G* basis set; BSSE; Continuum solvent; HF; Monohydrated structures; MP2

Indexed keywords

EID: 33748457077     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2005.12.039     Document Type: Article

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