Sampling reactive pathways with random walks in chemical space: Applications to molecular dissociation and catalysis
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.4929992
Reference75 articles.
1. Mechanism of ?-substitution reactions of acrylic derivatives
2. Secondary deuterium and nitrogen-15 isotope effects in enzyme-catalyzed reactions. Chemical mechanism of liver alcohol dehydrogenase
3. Mechanism of Oxidative Amine Dealkylation of Substituted N,N-Dimethylanilines by Cytochrome P-450: Application of Isotope Effect Profiles
4. Trapping intermediates in the crystal: ligand binding to myoglobin
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