Theoretical predictions of the coordination of water to the polar headgroup of dimethyldodecylamine-N-oxide

ChemPhysChem

Volumn 8, Issue 4, 2007, Pages 523-525

  Öhrn, Anders ^a   Karlström, Gunnar ^a  

^a CHEMICAL CENTER   (Sweden)

Author keywords

Ab initio calculations; Force field calculations; Molecular modeling; Solvation; Surfactants

Indexed keywords

MOLECULAR MODELING; MOLECULES; SOLVATION; SURFACE ACTIVE AGENTS;

AB INITIO CALCULATIONS; ENTHALPIC MEASUREMENTS; FORCE FIELD CALCULATIONS; N-OXIDES; POLAR HEADGROUPS; WATER MOLECULE;

CALCULATIONS;

EID: 33947318062     PISSN: 14394235     EISSN: 14397641     Source Type: Journal    
DOI: 10.1002/cphc.200600709     Document Type: Article

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