FTIR and DFT studies of LiTFSI solvation in 3-methyl-2-oxazolidinone.
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[1] Daniel M. Seo,et al. Combined quantum chemical/Raman spectroscopic analyses of Li + cation solvation: Cyclic carbonate solvents-Ethylene carbonate and propylene carbonate , 2014 .
[2] H. Wiemhöfer,et al. Study of carbamate-modified disiloxane in porous PVDF-HFP membranes: new electrolytes/separators for lithium-ion batteries. , 2014, Chemphyschem : a European journal of chemical physics and physical chemistry.
[3] H. Wiemhöfer,et al. Computational study of structural properties of lithium cation complexes with carbamate-modified disiloxanes. , 2014, Physical chemistry chemical physics : PCCP.
[4] Y. Huh,et al. Computational screening of lactam molecules as solid electrolyte interphase forming additives in lithium-ion batteries , 2014 .
[5] V. Barone,et al. Dispersion corrected DFT approaches for anharmonic vibrational frequency calculations: nucleobases and their dimers. , 2014, Physical chemistry chemical physics : PCCP.
[6] Gang Li,et al. Li(+)-molecule interactions of lithium tetrafluoroborate in propylene carbonate + N,N-dimethylformamide mixtures: an FTIR spectroscopic study. , 2014, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.
[7] Yue Shen,et al. FTIR spectroscopic studies of lithium tetrafluoroborate in propylene carbonate+diethyl carbonate mixtures. , 2014, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.
[8] Malgorzata Baranska,et al. Rapid approach to analyze biochemical variation in rat organs by ATR FTIR spectroscopy. , 2014, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.
[9] S. Kazarian,et al. Recent applications of ATR FTIR spectroscopy and imaging to proteins. , 2013, Biochimica et biophysica acta.
[10] H. Wiemhöfer,et al. Disiloxanes with cyclic or non-cyclic carbamate moieties as electrolytes for lithium-ion batteries. , 2013, Chemical communications.
[11] Li Yang,et al. Investigation of solvation in lithium ion battery electrolytes by NMR spectroscopy , 2010 .
[12] P. Johansson,et al. Spectroscopic identification of the lithium ion transporting species in LiTFSI-doped ionic liquids. , 2009, The journal of physical chemistry. A.
[13] L. C. Freitas,et al. Structural and thermodynamic properties of liquid ethylene carbonate and propylene carbonate by Monte Carlo Simulations , 2007 .
[14] P. Johansson,et al. Lithium salt dissociation in non-aqueous electrolytes modeled by ab initio calculations , 2006 .
[15] B. Carré,et al. Is 3-methyl-2-oxazolidinone a suitable solvent for lithium-ion batteries? , 2006 .
[16] O. Borodin,et al. Development of many-body polarizable force fields for Li-battery applications: 2. LiTFSI-doped Oligoether, polyether, and carbonate-based electrolytes. , 2006, The journal of physical chemistry. B.
[17] M. Andersson,et al. New scale factors for harmonic vibrational frequencies using the B3LYP density functional method with the triple-zeta basis set 6-311+G(d,p). , 2005, The journal of physical chemistry. A.
[18] Jianji Wang,et al. Ion-molecule interactions in solutions of lithium perchlorate in propylene carbonate + diethyl carbonate mixtures: an IR and molecular orbital study. , 2002, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.
[19] P. Balbuena,et al. Associations of Alkyl Carbonates: Intermolecular C−H···O Interactions , 2001 .
[20] Liquan Chen,et al. Ion Association and Salvation Studies of LiClO4/Ethylene Carbonate Electrolyte by Raman and Infrared Spectroscopy , 1998 .
[21] P. Johansson,et al. Spectroscopic and Theoretical Study of (CF3SO2)2N- (TFSI-) and (CF3SO2)2NH (HTFSI) , 1998 .
[22] G. Nazri,et al. Vibrational studies of lithium perchlorate in propylene carbonate solutions , 1993 .
[23] A. Becke. Density-functional thermochemistry. III. The role of exact exchange , 1993 .
[24] Parr,et al. Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density. , 1988, Physical review. B, Condensed matter.
[25] Timothy Clark,et al. Efficient diffuse function‐augmented basis sets for anion calculations. III. The 3‐21+G basis set for first‐row elements, Li–F , 1983 .
[26] Feng Wu,et al. Investigation of a novel ternary electrolyte based on dimethyl sulfite and lithium difluoromono(oxalato)borate for lithium ion batteries , 2014 .
[27] Daniel M. Seo,et al. Electrolyte Solvation and Ionic Association II. Acetonitrile-Lithium Salt Mixtures: Highly Dissociated Salts , 2012 .
[28] Giovanni Scalmani,et al. Gaussian 09W, revision A. 02 , 2009 .