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3 Publications
2019 | Journal Article | LibreCat-ID: 13225
Clark, Timothy, Julian Joachim Heske, and Thomas Kühne. “Opposing Electronic and Nuclear Quantum Effects on Hydrogen Bonds in H2O and D2O.” ChemPhysChem 20, no. 0 (2019): 1–6. https://doi.org/10.1002/cphc.201900839.
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| DOI
2016 | Journal Article | LibreCat-ID: 13241
Köster, Andreas, Thomas Spura, Gábor Rutkai, Jan Kessler, Hendrik Wiebeler, Jadran Vrabec, and Thomas D. Kühne. “Assessing the Accuracy of Improved Force-Matched Water Models Derived from Ab Initio Molecular Dynamics Simulations.” Journal of Computational Chemistry 37, no. 19 (2016): 1828–38. https://doi.org/10.1002/jcc.24398.
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| DOI
2008 | Journal Article | LibreCat-ID: 64041
Schweitzer, Annika, Torsten Gutmann, Maria Wächtler, Hergen Breitzke, Axel Buchholz, Winfried Plass, and Gerd Buntkowsky. “51V Solid-State NMR Investigations and DFT Studies of Model Compounds for Vanadium Haloperoxidases.” Solid State Nuclear Magnetic Resonance 34, no. 1–2 (2008): 52–67. https://doi.org/10.1016/j.ssnmr.2008.02.003.
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