Cations strongly reduce electron-hopping rates in aqueous solutions

Journal of the American Chemical Society

Volumn 133, Issue 34, 2011, Pages 13489-13495

  Ottosson, Niklas ^a   Odelius, Michael ^b   Spångberg, Daniel ^a   Pokapanich, Wandared ^a   Svanqvist, Mattias ^c   Öhrwall, Gunnar ^d   Winter, Bernd ^e   Björneholm, Olle ^a  

^a UPPSALA UNIVERSITY   (Sweden)

^b ALBANOVA UNIVERSITY CENTER   (Sweden)

^c UNIVERSITY OF FREIBURG   (Germany)

^d LUND UNIVERSITY   (Sweden)

^e HAHN MEITNER INSTITUT   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

AQUEOUS MEDIA; CORE HOLE; CORE LEVELS; ELECTRONIC STRUCTURE CALCULATIONS; ELECTROSTATIC PERTURBATION; INTERMOLECULAR HOPPING; LIQUID WATER; MOLECULAR DYNAMICS SIMULATIONS; MOLECULAR ENVIRONMENT; ORBITAL MIXING; ORBITALS; RESONANT AUGER DECAY; ULTRA-FAST; WATER MOLECULE; WATER-WATER;

AUGERS; CHARGE TRANSFER; DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; ION EXCHANGE; IONIC CONDUCTION; MOLECULAR DYNAMICS; MOLECULES; POSITIVE IONS; SOLUTIONS;

ELECTRONS;

CATION; ELECTROLYTE; MAGNESIUM DERIVATIVE; MAGNESIUM DIBROMIDE; UNCLASSIFIED DRUG; WATER;

AQUEOUS SOLUTION; ARTICLE; ATOM; AUGER ELECTRON SPECTROSCOPY; CALCULATION; COMPARATIVE STUDY; DENSITY FUNCTIONAL THEORY; ELECTRON; ELECTRON HOPPING RATE; ELECTRON KINETIC ENERGY; ELECTRON TRANSPORT; ENERGY; ENERGY TRANSFER; GEOMETRY; MOLECULAR DYNAMICS; MOLECULE; REDUCTION; SIMULATION; SOLVATION; STATIC ELECTRICITY;

CATIONS; ELECTRONS; MOLECULAR DYNAMICS SIMULATION; WATER;

EID: 80052081471     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja204100j     Document Type: Article

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