Large-scale virtual high-throughput screening for the identification of new battery electrolyte solvents: evaluation of electronic structure theory methods

Erstveröffentlichung
2014Authors
Korth, Martin
Wissenschaftlicher Artikel
Published in
Physical Chemistry Chemical Physics ; 16 (2014), 17. - S. 7919-7926. - ISSN 1463-9076. - eISSN 1463-9084
Link to publication
https://dx.doi.org/10.1039/c4cp00547cFaculties
Fakultät für NaturwissenschaftenInstitutions
Institut für Theoretische ChemieSubject headings
[Free subject headings]: GAUSSIAN-BASIS SETS | LI-ION BATTERIES | MOLECULAR-DYNAMICS | ELECTROCHEMICAL WINDOWS | LITHIUM | HARDNESS | ATOMS | STABILITY | CARBONATE | AFFINITY[DDC subject group]: DDC 540 / Chemistry & allied sciences