A first-principles based force-field for Li+ and OH- in ethanolic solution

Journal of Chemical Physics

Volumn 139, Issue 14, 2013, Pages

  Milek, Theodor ^a   Meyer, Bernd ^a   Zahn, Dirk ^a  

^a UNIVERSITY OF ERLANGEN NUREMBERG   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO MOLECULAR DYNAMICS; BULK SOLUTIONS; ETHANOL/WATER MIXTURES; ETHANOLIC SOLUTION; HYDROXIDE IONS; MOLECULAR CLUSTERS; QUANTUM CALCULATION; SOLVENT STRUCTURES;

DIMERS; LITHIUM; MOLECULAR DYNAMICS;

CALCULATIONS;

EID: 84903362771     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4824300     Document Type: Article

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