Ab initio quantum chemistry and molecular dynamics simulations studies of LiPF6/poly(ethylene oxide) interactions

Journal of Computational Chemistry

Volumn 22, Issue 6, 2001, Pages 641-654

  Borodin, Oleg ^a   Smith, Grant D ^a   Jaffe, Richard L ^b  

^a UNIVERSITY OF UTAH   (United States)

^b NASA AMES RESEARCH CENTER   (United States)

Author keywords

Force field; Molecular dynamics; Polymer electrolytes; Quantum chemistry

Indexed keywords

EID: 0035971874     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/jcc.1033     Document Type: Article

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