Karhan K - Search Results

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Structure and Dynamics of the Instantaneous Water/Vapor Interface Revisited by Path-Integral and Ab Initio Molecular Dynamics Simulations.

Kessler J, Elgabarty H, Spura T, Karhan K, Partovi-Azar P, Hassanali AA, Kühne TD. Kessler J, et al. Among authors: karhan k. J Phys Chem B. 2015 Aug 6;119(31):10079-86. doi: 10.1021/acs.jpcb.5b04185. Epub 2015 Jul 23. J Phys Chem B. 2015. PMID: 26174102

On the role of interfacial hydrogen bonds in "on-water" catalysis.

Karhan K, Khaliullin RZ, Kühne TD. Karhan K, et al. J Chem Phys. 2014 Dec 14;141(22):22D528. doi: 10.1063/1.4902537. J Chem Phys. 2014. PMID: 25494799

Impact of finite-temperature and condensed-phase effects on theoretical X-ray absorption spectra of transition metal complexes.

Müller P, Karhan K, Krack M, Gerstmann U, Schmidt WG, Bauer M, Kühne TD. Müller P, et al. Among authors: karhan k. J Comput Chem. 2018 Oct 11. doi: 10.1002/jcc.25641. Online ahead of print. J Comput Chem. 2018. PMID: 30306614

On the Hydrogen Bond Strength and Vibrational Spectroscopy of Liquid Water.

Ojha D, Karhan K, Kühne TD. Ojha D, et al. Among authors: karhan k. Sci Rep. 2018 Nov 15;8(1):16888. doi: 10.1038/s41598-018-35357-9. Sci Rep. 2018. PMID: 30443040 Free PMC article.

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