Electronic structure calculations and quantum molecular dynamics simulations of the ionic liquid PP13-TFSI

Solid State Ionics

Volumn 225, Issue , 2012, Pages 22-25

  Nishino, Shinya ^a   Fujiwara, Takeo ^a   Yamasaki, Hisatsugu ^b   Yamamoto, Susumu ^c   Hoshi, Takeo ^d,e  

^a UNIVERSITY OF TOKYO   (Japan)

^b TOYOTA MOTOR CORPORATION   (Japan)

^c TOKYO UNIVERSITY OF TECHNOLOGY   (Japan)

^d TOTTORI UNIVERSITY   (Japan)

^e JAPAN SCIENCE AND TECHNOLOGY AGENCY   (Japan)

Author keywords

Ionic liquid; PP13 TFSI; Quantum molecular dynamics

Indexed keywords

DENSITY FUNCTIONAL THEORY CALCULATIONS; DENSITY OF STATE; ELECTRONIC STRUCTURE CALCULATIONS; ION PAIRS; PP13-TFSI; QUANTUM MOLECULAR DYNAMICS; TIGHT BINDING; TIGHT BINDING METHODS;

CHARGE TRANSFER; DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; IONIC LIQUIDS; POSITIVE IONS;

MOLECULAR DYNAMICS;

EID: 84867576365     PISSN: 01672738     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ssi.2012.01.045     Document Type: Conference Paper

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