Can dispersion corrections annihilate the dispersion-driven nano-aggregation of non-polar groups? An ab initio molecular dynamics study of ionic liquid systems

Erstveröffentlichung
2016
Authors
Firaha, Dzmitry S.
Thomas, Martin
Holloczki, Oldamur
Korth, Martin
Kirchner, Barbara
Wissenschaftlicher Artikel


Published in
Journal of Chemical Physics ; 145 (2016), 20. - Art.-Nr. 204502. - ISSN 0021-9606. - eISSN 1089-7690
Link to publication
https://dx.doi.org/10.1063/1.4967861
Faculties
Fakultät für Naturwissenschaften
Institutions
Institut für Theoretische Chemie
Subject headings
[Free subject headings]: density-functional theory | pseudopotentials | approximation | segregation | simulation | transport | carbene | spectra
[DDC subject group]: DDC 540 / Chemistry & allied sciences
Metadata
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