Atom substitution effects of [XF6]- in ionic liquids. 2. Theoretical study

Journal of Physical Chemistry B

Volumn 113, Issue 29, 2009, Pages 9840-9851

  Ishida, Tateki ^a   Nishikawa, Keiko ^b   Shirota, Hideaki ^b  

^a INSTITUTE FOR MOLECULAR SCIENCE   (Japan)

^b CHIBA UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIC SPECTROSCOPY; ATOMS; ELECTROMAGNETIC WAVE INTERFERENCE; IONIZATION OF LIQUIDS; MOLECULAR DYNAMICS; NEGATIVE IONS; POSITIVE IONS; REGRESSION ANALYSIS; SPECTROSCOPIC ANALYSIS;

AB INITIO CALCULATIONS; ATOM SUBSTITUTION; ATOMIC MASS; COMPUTATIONAL APPROACH; COMPUTATIONAL STUDIES; CROSS-TERM; DECOMPOSITION ANALYSIS; DENSITY OF STATE; DYNAMICAL STRUCTURE; FORCE FIELDS; HIGHER FREQUENCIES; INTERIONIC INTERACTIONS; INTERMEDIATE SCATTERING FUNCTIONS; ION SPECIES; KERR SPECTRA; LIBRATIONAL MOTIONS; MOLECULAR DYNAMICS SIMULATIONS; POLARIZABILITY; SPECTROSCOPIC STUDIES; THEORETICAL APPROACH; THEORETICAL STUDY; TIME CORRELATION FUNCTIONS; TRANSLATIONAL MOTIONS; VELOCITY AUTOCORRELATION FUNCTIONS; [BMIM][PF;

IONIC LIQUIDS;

EID: 67650832068     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp8098818     Document Type: Article

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