Quantum-classical simulation of electron localization in negatively charged methanol clusters

Journal of Chemical Physics

Volumn 135, Issue 8, 2011, Pages

  Mones, Letif ^a   Rossky, Peter J ^b   Turi, László ^a  

^a EÖTVÖS LORÁND UNIVERSITY   (Hungary)

^b UNIVERSITY OF TEXAS AT AUSTIN   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CLUSTER SIZES; DYNAMIC PROCESS; ELECTRON LOCALIZATIONS; EXCESS ELECTRONS; EXPERIMENTAL OBSERVATION; FREE HYDROXYL GROUPS; HYDROXYL GROUPS; IMAGING EXPERIMENTS; INTERIOR STATE; LOCALIZATION PATTERNS; METHANOL CLUSTERS; QUANTUM MOLECULAR DYNAMICS; QUANTUM-CLASSICAL; SOLVATED ELECTRON; SOLVENT CAVITY; SPECTROSCOPIC PROPERTY; SURFACE ELECTRONIC STATE; SURFACE STATE; WATER CLUSTER;

ELECTRONIC STATES; METHANOL; MOLECULAR DYNAMICS;

ELECTRONS;

EID: 80052410922     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3624366     Document Type: Article

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