Molecular dynamics, density functional and second-order Møller-Plesset theory study of the structure and conformation of acetylcholine in vacuo and in solution

Theoretical Chemistry Accounts

Volumn 107, Issue 1, 2001, Pages 8-14

  Marino, T ^a   Russo, N ^a   Tocci, E ^a   Toscano, M ^a  

^a UNIVERSITY OF CALABRIA   (Italy)

Author keywords

Acetylcholine; Density functional theory; Molecular dynamics; Second order M ller Plesset; Solvent effects

Indexed keywords

EID: 0035730932     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s002140100291     Document Type: Article

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