Combined ab initio quantum mechanics and classical molecular dynamics studies of polyphosphazene polymer electrolytes: Competitive solvation of Li + and LiCF 3SO 3

Journal of Physical Chemistry B

Volumn 108, Issue 40, 2004, Pages 15694-15702

  Wang, Yixuan ^a   Balbuena, Perla B ^a  

^a Texas AandM University   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO QUANTUM MECHANICS; POLYELECTROLYTE; POLYPHOSPHAZENE; WATER OXYGEN;

COMPUTER SIMULATION; ELECTROLYTES; ETHERS; LITHIUM; MICROSTRUCTURE; MOLECULAR DYNAMICS; POLYMERS; SOLVENT EXTRACTION;

QUANTUM THEORY;

EID: 6444229758     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp047782t     Document Type: Article

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