Proton transfer 200 years after Von Grotthuss: Insights from ab initio simulations

ChemPhysChem

Volumn 7, Issue 9, 2006, Pages 1848-1870

  Marx, Dominik ^a  

^a RUHR UNIVERSITY BOCHUM   (Germany)

Author keywords

Ab initio calculations; Hydrogen bonds; Isotope effects; Molecular dynamics; Proton transport

Indexed keywords

CALCULATIONS; ELECTRONIC STRUCTURE; EXCITED STATES; MOLECULAR DYNAMICS; PROTON TRANSFER;

AB INITIO CALCULATIONS; CAR-PARRINELLO MOLECULAR-DYNAMICS; EXCITED-STATE PROTON TRANSFER; HYDROGEN BONDED NETWORK; HYDROGEN BONDED SYSTEMS; ISOTOPE EFFECT; PHYSICAL AND CHEMICAL PROPERTIES; PROTON TRANSPORT;

HYDROGEN BONDS;

EID: 33748969865     PISSN: 14394235     EISSN: 14397641     Source Type: Journal    
DOI: 10.1002/cphc.200600128     Document Type: Review

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