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Varela, Molecular dynamics analysis of the effect of electronic polarization on the structure and single-particle dynamics of mixtures of ionic liquids and lithium salts, J. Chem. Phys. 145 (20).","DOI":"10.1063\/1.4968393"},{"issue":"1","key":"10.1016\/j.molliq.2020.113866_bb0375","doi-asserted-by":"crossref","first-page":"305","DOI":"10.1021\/jp806124w","article-title":"Spectroscopic identification of the lithium ion transporting species in LiTFSI-doped ionic liquids","volume":"113","author":"Lass\u00e8gues","year":"2009","journal-title":"J. Phys. Chem. A"},{"key":"10.1016\/j.molliq.2020.113866_bb0380","doi-asserted-by":"crossref","unstructured":"V. G\u00f3mez-Gonz\u00e1lez, B. Docampo-\u00c1lvarez, O. Cabeza, M. Fedorov, R. M. Lynden-Bell, L. J. Gallego, L. M. Varela, Molecular dynamics simulations of the structure and single-particle dynamics of mixtures of divalent salts and ionic liquids, J. Chem. Phys. 143 (12).","DOI":"10.1063\/1.4931656"},{"issue":"35","key":"10.1016\/j.molliq.2020.113866_bb0385","doi-asserted-by":"crossref","first-page":"20108","DOI":"10.1021\/acs.jpcc.8b05573","article-title":"Insights into the structure and transport of the lithium, sodium, magnesium, and zinc bis(trifluoromethansulfonyl)imide salts in ionic liquids","volume":"122","author":"Borodin","year":"2018","journal-title":"J. Phys. Chem. C"},{"issue":"21","key":"10.1016\/j.molliq.2020.113866_bb0390","doi-asserted-by":"crossref","first-page":"4033","DOI":"10.1039\/C5CC09324D","article-title":"Ionic liquid electrolytes for reversible magnesium electrochemistry","volume":"52","author":"Kar","year":"2016","journal-title":"Chem. Commun."},{"issue":"1","key":"10.1016\/j.molliq.2020.113866_bb0395","doi-asserted-by":"crossref","first-page":"219","DOI":"10.1021\/jp3105908","article-title":"Thole model for ionic liquid polarizability","volume":"117","author":"Gu","year":"2013","journal-title":"J. Phys. 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Chem."},{"key":"10.1016\/j.molliq.2020.113866_bb0510","first-page":"3","article-title":"Electronic (absorption) spectra of 3d transition metal complexes","author":"Lakshmi","year":"2012","journal-title":"Advanced Aspects of Spectroscopy"},{"issue":"10","key":"10.1016\/j.molliq.2020.113866_bb0515","doi-asserted-by":"crossref","first-page":"2261","DOI":"10.1016\/j.saa.2003.11.024","article-title":"Spectroscopic study of chromium, iron, OH, fluid and mineral inclusions in uvarovite and fuchsite","volume":"60","author":"Navas","year":"2004","journal-title":"Spectrochim. Acta A Mol. Biomol. Spectrosc."},{"issue":"3886","key":"10.1016\/j.molliq.2020.113866_bb0520","doi-asserted-by":"crossref","first-page":"3886","DOI":"10.1039\/jr9640003886","article-title":"Charge-transfer spectra of some inorganic complexes in solution","author":"Barnes","year":"1964","journal-title":"J. Chem. Soc."},{"key":"10.1016\/j.molliq.2020.113866_bb0525","doi-asserted-by":"crossref","first-page":"343","DOI":"10.1016\/j.molstruc.2017.09.052","article-title":"Low-spin manganese(II) and high-spin manganese(III) complexes derived from disalicylaldehyde oxaloyldihydrazone: synthesis, spectral characterization and electrochemical studies","volume":"1151","author":"Syiemlieh","year":"2018","journal-title":"J. Mol. Struct."},{"year":"2001","series-title":"Electronic Absorption Spectroscopy and Related Techniques","author":"Sathyanarayana","key":"10.1016\/j.molliq.2020.113866_bb0530"},{"key":"10.1016\/j.molliq.2020.113866_bb0535","series-title":"Ch. Applied Photochemistry of Iron(III) Compounds","article-title":"Insights into coordination, bioinorganic, and applied inorganic chemistry","author":"\u0160ima","year":"2009"},{"key":"10.1016\/j.molliq.2020.113866_bb0540","doi-asserted-by":"crossref","first-page":"161","DOI":"10.1016\/S0010-8545(96)01321-5","article-title":"Photochemistry of iron (III) complexes","volume":"160","author":"\u0160ima","year":"1997","journal-title":"Coord. Chem. Rev."},{"issue":"3","key":"10.1016\/j.molliq.2020.113866_bb0545","doi-asserted-by":"crossref","first-page":"473","DOI":"10.1021\/la00051a010","article-title":"Reactivity of surface iron(III)-thiocyanate complexes characterized by the dissolution of hematite in acidic Thiocyanate solutions","volume":"7","author":"Regazzoni","year":"1991","journal-title":"Langmuir"},{"issue":"3","key":"10.1016\/j.molliq.2020.113866_bb0550","doi-asserted-by":"crossref","first-page":"845","DOI":"10.1039\/C2CS35394F","article-title":"The calculations of excited-state properties with time-dependent density functional theory","volume":"42","author":"Adamo","year":"2013","journal-title":"Chem. Soc. Rev."},{"key":"10.1016\/j.molliq.2020.113866_bb0555","doi-asserted-by":"crossref","unstructured":"A. Bourouina, M. Rekhis, Structural and electronic study of iron-based dye sensitizers for solar cells using DFT\/TDDFT, J. Mol. 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