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2018 | 1 |
2020 | 1 |
2021 | 2 |
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Mixed-Valence Compounds as Polarizing Agents for Overhauser Dynamic Nuclear Polarization in Solids*.
Angew Chem Int Ed Engl. 2021 Jul 5;60(28):15371-15375. doi: 10.1002/anie.202103215. Epub 2021 Jun 7.
Angew Chem Int Ed Engl. 2021.
PMID: 33908694
Free PMC article.
Hydrogen bond dynamics of interfacial water molecules revealed from two-dimensional vibrational sum-frequency generation spectroscopy.
Ojha D, Kühne TD.
Ojha D, et al.
Sci Rep. 2021 Jan 28;11(1):2456. doi: 10.1038/s41598-021-81635-4.
Sci Rep. 2021.
PMID: 33510246
Free PMC article.
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"On-The-Fly" Calculation of the Vibrational Sum-Frequency Generation Spectrum at the Air-Water Interface.
Ojha D, Kühne TD.
Ojha D, et al.
Molecules. 2020 Aug 28;25(17):3939. doi: 10.3390/molecules25173939.
Molecules. 2020.
PMID: 32872259
Free PMC article.
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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.
J Comput Chem. 2018 Oct 11. doi: 10.1002/jcc.25641. Online ahead of print.
J Comput Chem. 2018.
PMID: 30306614
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