Kirchner B - Search Results

1

Kirchner B, Malberg F, Firaha DS, Hollóczki O. Kirchner B, et al. J Phys Condens Matter. 2015 Nov 25;27(46):463002. doi: 10.1088/0953-8984/27/46/463002. Epub 2015 Oct 28. J Phys Condens Matter. 2015. PMID: 26509867

2

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.

3

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

4

Are there stable ion-pairs in room-temperature ionic liquids? Molecular dynamics simulations of 1-n-butyl-3-methylimidazolium hexafluorophosphate.

Zhao W, Leroy F, Heggen B, Zahn S, Kirchner B, Balasubramanian S, Müller-Plathe F. Zhao W, et al. Among authors: kirchner b. J Am Chem Soc. 2009 Nov 4;131(43):15825-33. doi: 10.1021/ja906337p. J Am Chem Soc. 2009. PMID: 19827790

5

Structure and dynamics of the protic ionic liquid monomethylammonium nitrate ([CH3NH3][NO3]) from ab initio molecular dynamics simulations.

Zahn S, Thar J, Kirchner B. Zahn S, et al. Among authors: kirchner b. J Chem Phys. 2010 Mar 28;132(12):124506. doi: 10.1063/1.3354108. J Chem Phys. 2010. PMID: 20370132

6

On the physical origin of the cation-anion intermediate bond in ionic liquids Part I. Placing a (weak) hydrogen bond between two charges.

Lehmann SB, Roatsch M, Schöppke M, Kirchner B. Lehmann SB, et al. Among authors: kirchner b. Phys Chem Chem Phys. 2010 Jul 21;12(27):7473-86. doi: 10.1039/b921246a. Epub 2010 Jun 8. Phys Chem Chem Phys. 2010. PMID: 20532355

7

Performance of quantum chemically derived charges and persistence of ion cages in ionic liquids. A molecular dynamics simulations study of 1-n-butyl-3-methylimidazolium bromide.

Kohagen M, Brehm M, Thar J, Zhao W, Müller-Plathe F, Kirchner B. Kohagen M, et al. Among authors: kirchner b. J Phys Chem B. 2011 Feb 3;115(4):693-702. doi: 10.1021/jp109612k. Epub 2010 Dec 20. J Phys Chem B. 2011. PMID: 21171617

8

Ab initio molecular dynamics simulations of a binary system of ionic liquids.

Brüssel M, Brehm M, Voigt T, Kirchner B. Brüssel M, et al. Among authors: kirchner b. Phys Chem Chem Phys. 2011 Aug 14;13(30):13617-20. doi: 10.1039/c1cp21550g. Epub 2011 Jun 28. Phys Chem Chem Phys. 2011. PMID: 21709928

9

Depolarization of water in protic ionic liquids.

Zahn S, Wendler K, Delle Site L, Kirchner B. Zahn S, et al. Among authors: kirchner b. Phys Chem Chem Phys. 2011 Sep 7;13(33):15083-93. doi: 10.1039/c1cp20288j. Epub 2011 Jul 18. Phys Chem Chem Phys. 2011. PMID: 21769354

10

Performance of dispersion-corrected density functional theory for the interactions in ionic liquids.

Grimme S, Hujo W, Kirchner B. Grimme S, et al. Among authors: kirchner b. Phys Chem Chem Phys. 2012 Apr 14;14(14):4875-83. doi: 10.1039/c2cp24096c. Epub 2012 Feb 29. Phys Chem Chem Phys. 2012. PMID: 22378355

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