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Hybrid QM/MM Car—Parrinello Simulations of Catalytic and Enzymatic Reactions |
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| Authors: | Maria Carola Colombo Leonardo Guidoni Alessandro Laio Alessandra Magistrato Patrick Maurer Stefano Piana Ute Rohrig Katrin Spiegel Marialore Sulpizi Joost VandeVondele et al. et al. |
| Abstract: | |
| Keywords: | theoretical chemistry, review catalysis, phase‐transfer catalysis biochemical syntheses, microbiological syntheses |