Efficient Reaction Space Exploration with ChemTraYzer-TAD von Krep, Lukas, Roy, Indu Sekhar, Kopp, Wassja, Schmalz, Felix, Huang, Can, Leonhard, Kai

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A Reactive Molecular Dynamics Study of Chlorinated Organic Compounds. Part I: Force Field Development von Komissarov, Leonid, Krep, Lukas, Schmalz, Felix, Kopp, Wassja A., Leonhard, Kai, Verstraelen, Toon

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Automatic Potential Energy Surface Exploration by Accelerated Reactive Molecular Dynamics Simulations: From Pyrolysis to Oxidation Chemistry von Kopp, Wassja A., Huang, Can, Zhao, Yuqing, Yu, Peiyang, Schmalz, Felix, Krep, Lukas, Leonhard, Kai

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Kinetic Modeling of a Poly(N‑vinylcaprolactam-co-glycidyl methacrylate) Microgel Synthesis: A Hybrid In Silico and Experimental Approach von Nevolianis, Thomas, Wolter, Nadja, Kaven, Luise F., Krep, Lukas, Huang, Can, Mhamdi, Adel, Mitsos, Alexander, Pich, Andrij, Leonhard, Kai

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A reactive molecular dynamics study of chlorinated organic compounds, part I : force field development von Komissarov, Leonid Maximowitsch, Krep, Lukas, Schmalz, Felix, Kopp, Wassja A, Leonhard, Kai, Verstraelen, Toon

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A Reactive Molecular Dynamics Study of Chlorinated Organic Compounds. Part II: A ChemTraYzer Study of Chlorinated Dibenzofuran Formation and Decomposition Processes von Krep, Lukas, Schmalz, Felix, Solbach, Florian, Komissarov, Leonid, Nevolianis, Thomas, Kopp, Wassja A., Verstraelen, Toon, Leonhard, Kai

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Front Cover: A Reactive Molecular Dynamics Study of Chlorinated Organic Compounds. Part II: A ChemTraYzer Study of Chlorinated Dibenzofuran Formation and Decomposition Processes (C... von Krep, Lukas, Schmalz, Felix, Solbach, Florian, Komissarov, Leonid, Nevolianis, Thomas, Kopp, Wassja A., Verstraelen, Toon, Leonhard, Kai

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A Reactive Molecular Dynamics Study of Chlorinated Organic Compounds. Part II: A ChemTraYzer Study of Chlorinated Dibenzofuran Formation and Decomposition Processes von Krep, Lukas, Schmalz, Felix, Solbach, Florian, Komissarov, Leonid, Nevolianis, Thomas, Kopp, Wassja A., Verstraelen, Toon, Leonhard, Kai

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A reactive molecular dynamics study of chlorinated organic compounds : part II : a ChemTraYzer study of chlorinated dibenzofuran formation and decomposition processes von Krep, Lukas, Schmalz, Felix, Solbach, Florian, Komissarov, Leonid Maximowitsch, Nevolianis, Thomas, Kopp, Wassja A, Verstraelen, Toon, Leonhard, Kai

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Exploring the Chemistry of Low‐Temperature Ignition by Pressure‐Accelerated Dynamics von Krep, Lukas, Kopp, Wassja Alexander, Kröger, Leif Christian, Döntgen, Malte, Leonhard, Kai

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Determining structure and action mechanism of LBF14 by molecular simulation von Solbach, Florian, Bernardi, Austen, Bansal, Shivani, Budamagunta, Madhu S., Krep, Lukas, Leonhard, Kai, Voss, John C., Lam, Kit S., Faller, Roland

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