Quantum chemical calculations of lithium-ion battery electrolyte and interphase species

Measurement(s) molecule • solid electrolyte interphase Technology Type(s) density functional theory • computational modeling technique Factor Type(s) bond type • charge • spin multiplicity Machine-accessible metadata file describing the reported data: https://doi.org/10.6084/m9.figshare.14915256...

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Main Authors:	Evan Walter Clark Spotte-Smith, Samuel M. Blau, Xiaowei Xie, Hetal D. Patel, Mingjian Wen, Brandon Wood, Shyam Dwaraknath, Kristin Aslaug Persson
Format:	article
Language:	EN
Published:	Nature Portfolio 2021
Subjects:	Science Q
Online Access:	https://doaj.org/article/0136d1d9e8fe43d9a7f0f4665c6b38c1
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id	oai:doaj.org-article:0136d1d9e8fe43d9a7f0f4665c6b38c1
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spelling	oai:doaj.org-article:0136d1d9e8fe43d9a7f0f4665c6b38c12021-12-02T16:35:19ZQuantum chemical calculations of lithium-ion battery electrolyte and interphase species10.1038/s41597-021-00986-92052-4463https://doaj.org/article/0136d1d9e8fe43d9a7f0f4665c6b38c12021-08-01T00:00:00Zhttps://doi.org/10.1038/s41597-021-00986-9https://doaj.org/toc/2052-4463Measurement(s) molecule • solid electrolyte interphase Technology Type(s) density functional theory • computational modeling technique Factor Type(s) bond type • charge • spin multiplicity Machine-accessible metadata file describing the reported data: https://doi.org/10.6084/m9.figshare.14915256Evan Walter Clark Spotte-SmithSamuel M. BlauXiaowei XieHetal D. PatelMingjian WenBrandon WoodShyam DwaraknathKristin Aslaug PerssonNature PortfolioarticleScienceQENScientific Data, Vol 8, Iss 1, Pp 1-15 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	Science Q
spellingShingle	Science Q Evan Walter Clark Spotte-Smith Samuel M. Blau Xiaowei Xie Hetal D. Patel Mingjian Wen Brandon Wood Shyam Dwaraknath Kristin Aslaug Persson Quantum chemical calculations of lithium-ion battery electrolyte and interphase species
description	Measurement(s) molecule • solid electrolyte interphase Technology Type(s) density functional theory • computational modeling technique Factor Type(s) bond type • charge • spin multiplicity Machine-accessible metadata file describing the reported data: https://doi.org/10.6084/m9.figshare.14915256
format	article
author	Evan Walter Clark Spotte-Smith Samuel M. Blau Xiaowei Xie Hetal D. Patel Mingjian Wen Brandon Wood Shyam Dwaraknath Kristin Aslaug Persson
author_facet	Evan Walter Clark Spotte-Smith Samuel M. Blau Xiaowei Xie Hetal D. Patel Mingjian Wen Brandon Wood Shyam Dwaraknath Kristin Aslaug Persson
author_sort	Evan Walter Clark Spotte-Smith
title	Quantum chemical calculations of lithium-ion battery electrolyte and interphase species
title_short	Quantum chemical calculations of lithium-ion battery electrolyte and interphase species
title_full	Quantum chemical calculations of lithium-ion battery electrolyte and interphase species
title_fullStr	Quantum chemical calculations of lithium-ion battery electrolyte and interphase species
title_full_unstemmed	Quantum chemical calculations of lithium-ion battery electrolyte and interphase species
title_sort	quantum chemical calculations of lithium-ion battery electrolyte and interphase species
publisher	Nature Portfolio
publishDate	2021
url	https://doaj.org/article/0136d1d9e8fe43d9a7f0f4665c6b38c1
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Quantum chemical calculations of lithium-ion battery electrolyte and interphase species

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