Concerted O atom-proton transfer in the O-O bond forming step in water oxidation (22 citations)
Solvatochromic Shifts in Uracil: A Combined MD-QM/MM Study (16 citations)
Nonadiabatic Hybrid Quantum and Molecular Mechanic Simulations of Azobenzene Photoswitching in Bulk Liquid Environment (16 citations)
Multiple Low-Lying States for Compound I of P450(cam) and Chloroperoxidase Revealed from Multireference Ab Initio QM/MM Calculations (16 citations)
Inclusion of Dispersion Effects Significantly Improves Accuracy of Calculated Reaction Barriers for Cytochrome P450 Catalyzed Reactions (15 citations)
Excited States in Solution through Polarizable Embedding (15 citations)
At least according to Web of Science: Topic=qm/mm, Timespan=2010-2012.
Solvatochromic Shifts in Uracil: A Combined MD-QM/MM Study (16 citations)
Nonadiabatic Hybrid Quantum and Molecular Mechanic Simulations of Azobenzene Photoswitching in Bulk Liquid Environment (16 citations)
Multiple Low-Lying States for Compound I of P450(cam) and Chloroperoxidase Revealed from Multireference Ab Initio QM/MM Calculations (16 citations)
Excited States in Solution through Polarizable Embedding (15 citations)
At least according to Web of Science: Topic=qm/mm, Timespan=2010-2012.
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3 comments:
The last paper is not a QM/MM paper, while they relate their QM results to earlier QM/MM work they do not perform any QM/MM calculations in that study.
Voops! Quite right, thank you! We'll chalk up another one for Jacob Kongsted and co-workers.
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