On the amphiphilic behavior of the hydrated proton: An ab initio molecular dynamics study

International Journal of Mass Spectrometry

Volumn 241, Issue 2-3 SPEC.ISS., 2005, Pages 197-204

  Iyengar, Srinivasan S ^a   Day, Tyler J F ^b   Voth, Gregory A ^b  

^a INDIANA UNIVERSITY   (United States)

^b UNIVERSITY OF UTAH   (United States)

Author keywords

Ab initio molecular dynamics; ADMP; Amphiphilicity; Atom centered density matrix propagation; Hydrophobicity; Protonated water clusters

Indexed keywords

AMPHOPHILE; OXYGEN; PROTON; WATER;

AB INITIO CALCULATION; ARTICLE; ATOM; CHEMICAL BINDING; CLUSTER ANALYSIS; ELECTRONICS; HYDRATION; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; PARTICLE SIZE; PROTON TRANSPORT;

EID: 15944385626     PISSN: 13873806     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ijms.2004.12.003     Document Type: Article

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