An improved semiempirical method for hydrated systems

Theoretical Chemistry Accounts

Volumn 112, Issue 4, 2004, Pages 204-216

  Harb, W ^a   Bernal Uruchurtu, M I ^b   Ruiz Lopez M F ^a  

^a NANCY UNIVERSITÉ   (France)

^b CENTRO DE INVESTIGACIONES QUÍMICAS   (Mexico)

Author keywords

Aqueous systems; Core core interaction; Hydrogen bond; Parameterized model 3; Semiempirical methods

Indexed keywords

ANALYTICAL ERROR; CALCULATION; CHEMICAL INTERACTION; CONFERENCE PAPER; EMPIRICISM; ENERGY; HYDRATION; HYDROGEN BOND; MOLECULAR DYNAMICS; SOLVATION; SURFACE PROPERTY;

EID: 4944253523     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-004-0576-1     Document Type: Conference Paper

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