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Cooperativity in ionic liquids.
Kossmann S, Thar J, Kirchner B, Hunt PA, Welton T. Kossmann S, et al. Among authors: kirchner b. J Chem Phys. 2006 May 7;124(17):174506. doi: 10.1063/1.2191493. J Chem Phys. 2006. PMID: 16689582 Free article.
Introducing phase transitions to quantum chemistry: from Trouton's rule to first principles vaporization entropies.
Spickermann C, Lehmann SB, Kirchner B. Spickermann C, et al. Among authors: kirchner b. J Chem Phys. 2008 Jun 28;128(24):244506. doi: 10.1063/1.2937894. J Chem Phys. 2008. PMID: 18618941
Different electronic structure methods are compared and the influences of basis set size and of cooperative effects are discussed. In line with a previous study on the subject [B. Kirchner, J. Chem. Phys. 123, 204116 (2005)], we find that the neglect of cooperativit …
Different electronic structure methods are compared and the influences of basis set size and of cooperative effects are discussed. In line w …
What keeps ionic liquids in flow?
Zahn S, Bruns G, Thar J, Kirchner B. Zahn S, et al. Among authors: kirchner b. Phys Chem Chem Phys. 2008 Dec 14;10(46):6921-4. doi: 10.1039/b814962n. Epub 2008 Oct 15. Phys Chem Chem Phys. 2008. PMID: 19030585
266 results