Structure and energetics of Li+-(BF4-)n, Li+-(FSI-)n, and Li+-(TFSI-)n: Ab initio and polarizable force field approaches

Journal of Physical Chemistry B

Volumn 118, Issue 36, 2014, Pages 10785-10794

  Bauschlicher, Charles W ^a   Haskins, Justin B ^c   Bucholz, Eric W ^c   Lawson, John W ^c   Borodin, Oleg ^b  

^a NASA AMES RESEARCH CENTER   (United States)

^b U S ARMY RESEARCH LABORATORY   (United States)

^c Entry Systems and Technologies Division   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; FRUITS; LITHIUM; NUMERICAL METHODS; PERTURBATION TECHNIQUES;

ACCURATE CALCULATIONS; BIS(FLUOROSULFONYL)IMIDE; CONNECTED TRIPLES; COUPLED-CLUSTER SINGLES AND DOUBLES; POLARIZABLE FORCE FIELD; SECOND ORDER PERTURBATION THEORY; STRUCTURE AND ENERGETICS; TRIFLUOROMETHANE;

DENSITY FUNCTIONAL THEORY;

EID: 84949117032     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp506422p     Document Type: Article

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