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3 Publications
2019 | Journal Article | LibreCat-ID: 13225
Clark T, Heske JJ, Kühne T. Opposing Electronic and Nuclear Quantum Effects on Hydrogen Bonds in H2O and D2O. ChemPhysChem. 2019;20(0):1-6. doi:10.1002/cphc.201900839
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| DOI
2016 | Journal Article | LibreCat-ID: 13241
Köster A, Spura T, Rutkai G, et al. Assessing the accuracy of improved force-matched water models derived from Ab initio molecular dynamics simulations. Journal of Computational Chemistry. 2016;37(19):1828-1838. doi:10.1002/jcc.24398
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| DOI
2008 | Journal Article | LibreCat-ID: 64041
Schweitzer A, Gutmann T, Wächtler M, et al. 51V solid-state NMR investigations and DFT studies of model compounds for vanadium haloperoxidases. Solid State Nuclear Magnetic Resonance. 2008;34(1–2):52–67. doi:10.1016/j.ssnmr.2008.02.003
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| DOI