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Ab Initio Calculation of Anion Proton Affinity and Ionization Potential for Energetic Ionic Liquids

TitleAb Initio Calculation of Anion Proton Affinity and Ionization Potential for Energetic Ionic Liquids
Publication TypeJournal Article
Year of Publication2015
AuthorsCarlin, C, Gordon, MS
JournalJournal of Computational Chemistry
Volume36
Pagination597-600
Date Published04
Type of ArticleArticle
ISBN Number0192-8651
Accession NumberWOS:000350311400002
Keywordsbond, complexes, computational methods, correlated molecular calculations, coupled cluster, density, electrolytes, energies, gaussian-basis sets, hydrogen, ionic liquid, ionization energy, open shell, photoelectron-spectroscopy, proton affinity, stability
Abstract

pen shell states like the ionization potential. (c) 2015 Wiley Periodicals, Inc.

DOI10.1002/jcc.23838
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