Ab initio simulations of water and water ions

Journal of Physics: Condensed Matter

Volumn 6, Issue 23A, 1994, Pages

  Tuckerman, M E ^a   Laasonen, K ^a   Sprik, M ^a   Parrinello, M ^a  

^a IBM RESEARCH ZURICH   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; DEUTERIUM; DIFFUSION; HYDROGEN; MATHEMATICAL MODELS; MOLECULAR PHYSICS; MOLECULAR STRUCTURE; OXIDES; OXYGEN; PROTONS; WATER;

AB INITIO SIMULATION; CHARGE TRANSFER; GROTTHUS MECHANISM; HYDROGEN BONDS; HYDROXIDES; LIGANDS; MOLECULAR DYNAMICS; PROTON MIGRATION; SOLVATIONS;

IONS;

EID: 0028766439     PISSN: 09538984     EISSN: None     Source Type: Journal    
DOI: 10.1088/0953-8984/6/23A/010     Document Type: Article

References (11)

1. Self-Dissociation and Protonic Charge Transport in Water and Ice