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Chemical Science

Volumn 5, Issue 3, 2014, Pages 1216-1220

Absolute redox potential of liquid water: A first-principles theory

(4) Lucking, Michael a Sun, Yi Yang a West, Damien a Zhang, Shengbai a

a Rensselaer Polytechnic Institute (United States)

Author keywords

[No Author keywords available]

Indexed keywords

MOLECULAR DYNAMICS; REDOX REACTIONS;

DENSITY FUNCTIONALS; ELECTROSTATIC POTENTIALS; ENTROPIC CONTRIBUTIONS; EXCITED ELECTRONS; FIRST-PRINCIPLES MOLECULAR DYNAMICS METHODS; FIRST-PRINCIPLES THEORY; KOHN-SHAM LEVELS; VALENCE-BAND MAXIMUMS;

LIQUIDS;

EID: 84893503526 PISSN: 20416520 EISSN: 20416539 Source Type: Journal
DOI: 10.1039/c3sc52287c Document Type: Article

Times cited : (12)

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