Solvation of the fluorine containing anions and their lithium salts in propylene carbonate and dimethoxyethane

Journal of Molecular Modeling

Volumn 21, Issue 7, 2015, Pages

  Chaban, Vitaly ^a,b  

^a FEDERAL UNIVERSITY OF SÃO PAULO   (Brazil)

^b UNIVERSITY OF SOUTHERN CALIFORNIA   (United States)

Author keywords

Dimethoxyethane; Hexafluorophosphate; Molecular dynamics; PM7 MD; Propylene carbonate; Semiempirical; Structure; Tetrafluoroborate

Indexed keywords

ANION; ELECTROLYTE; ETHANE; FLUORINE; LITHIUM SALT; PROPYLENE CARBONATE; SOLVENT;

ARTICLE; CHEMICAL STRUCTURE; DENSITY FUNCTIONAL THEORY; MOLECULAR DYNAMICS; PRIORITY JOURNAL; SIMULATION; SOLVATION; TEMPERATURE SENSITIVITY;

EID: 84931273581     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-015-2717-y     Document Type: Article

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