ChemShell-a modular software package for QM/MM simulations von Metz, Sebastian, Kästner, Johannes, Sokol, Alexey A., Keal, Thomas W., Sherwood, Paul

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The Stabilizing Effects in Gold Carbene Complexes von Nunes dos Santos Comprido, Laura, Klein, Johannes E. M. N., Knizia, Gerald, Kästner, Johannes, Hashmi, A. Stephen K.

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High Oxidation State Molybdenum N‐Heterocyclic Carbene Alkylidyne Complexes: Synthesis, Mechanistic Studies, and Reactivity von Koy, Maximilian, Elser, Iris, Meisner, Jan, Frey, Wolfgang, Wurst, Klaus, Kästner, Johannes, Buchmeiser, Michael R.

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Atom Tunneling in Chemistry von Meisner, Jan, Kästner, Johannes

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Umbrella sampling von Kastner, Johannes

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Unraveling the Role of the Tyrosine Tetrad from the Binding Site of the Epigenetic Writer MLL3 in the Catalytic Mechanism and Methylation Multiplicity von Blanco-Esperguez, Kevin, Tuñón, Iñaki, Kästner, Johannes, Mendizábal, Fernando, Miranda-Rojas, Sebastián

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Charge Distribution in Cationic Molybdenum Imido Alkylidene N -Heterocyclic Carbene Complexes: A Combined X-ray, XAS, XES, DFT, Mössbauer, and Catalysis Approach von Benedikter, Mathis, Musso, Janis, Kesharwani, Manoj K., Sterz, K. Leonard, Elser, Iris, Ziegler, Felix, Fischer, Felix, Plietker, Bernd, Frey, Wolfgang, Kästner, Johannes, Winkler, Mario, van Slageren, Joris, Nowakowski, Michal, Bauer, Matthias, Buchmeiser, Michael R.

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Gold(I) Vinylidene Complexes as Reactive Intermediates and Their Tendency to [pi]-Backbond von NunesdosSantosComprido, Laura, Klein, Johannes E M N, Knizia, Gerald, Kastner, Johannes, Hashmi, A Stephen K

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Computational Study of the Hydrogenation Sequence of the Phosphorous Atom on Interstellar Dust Grains von Molpeceres, Germán, Kästner, Johannes

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Transcatheter aortic valve replacement (TAVR) leads to an increase in the subendocardial viability ratio assessed by pulse wave analysis von Müller, Claudia, Goliasch, Georg, Schachinger, Stefan, Kastl, Stefan, Neunteufl, Thomas, Delle-Karth, Georg, Kastner, Johannes, Gyöngyösi, Mariann, Lang, Irene, Gottsauner-Wolf, Michael, Pavo, Noemi

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Formation of the prebiotic molecule NH2CHO on astronomical amorphous solid water surfaces: accurate tunneling rate calculations von Song, Lei, Kästner, Johannes

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Theory and simulation of atom tunneling in chemical reactions von Kastner, Johannes

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Gaussian Process Regression for Transition State Search von Denzel, Alexander, Kästner, Johannes

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An embedded cluster study of the formation of water on interstellar dust grains von GOUMANS, T. P. M, CATLOW, C. Richard A, BROWN, Wendy A, KASTNER, Johannes, SHERWOOD, Paul

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Status and Direction of Atom Probe Analysis of Frozen Liquids von Stender, Patrick, Gault, Baptiste, Schwarz, Tim M., Woods, Eric V., Kim, Se-Ho, Ott, Jonas, Stephenson, Leigh T., Schmitz, Guido, Freysoldt, Christoph, Kästner, Johannes, El-Zoka, Ayman A.

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Predictors of scaffold failure and impact of optimized scaffold implantation technique on outcome: Results from the German‐Austrian ABSORB RegIstRy von Boeder, Niklas F., Kastner, Johannes, Mehilli, Julinda, Münzel, Thomas, Naber, Christoph, Neumann, Till, Richardt, Gert, Schmermund, Axel, Wöhrle, Jochen, Zahn, Ralf, Riemer, Thomas, Achenbach, Stephan, Hamm, Christian W., Nef, Holger M.

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Reaction rates and kinetic isotope effects of H2 + OH → H2O + H von Meisner, Jan, Kästner, Johannes

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Instanton rate constant calculations close to and above the crossover temperature von McConnell, Sean, Kästner, Johannes

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Proton Affinities of N‑Heterocyclic Olefins and Their Implications for Organocatalyst Design von Schuldt, Robin, Kästner, Johannes, Naumann, Stefan

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Geometry Optimization in Internal Coordinates Based on Gaussian Process Regression: Comparison of Two Approaches von Born, Daniel, Kästner, Johannes

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