Structure and reactivity/selectivity control by oriented-external electric fields
Shaik, Sason, Ramanan, Rajeev, Danovich, David, Mandal, Debasish
Published in Chemical Society reviews (01.01.2018)
Published in Chemical Society reviews (01.01.2018)
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Journal Article
Electric-Field Mediated Chemistry: Uncovering and Exploiting the Potential of (Oriented) Electric Fields to Exert Chemical Catalysis and Reaction Control
Shaik, Sason, Danovich, David, Joy, Jyothish, Wang, Zhanfeng, Stuyver, Thijs
Published in Journal of the American Chemical Society (22.07.2020)
Published in Journal of the American Chemical Society (22.07.2020)
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Journal Article
Chemistry is about energy and its changes: A critique of bond-length/bond-strength correlations
Kaupp, Martin, Danovich, David, Shaik, Sason
Published in Coordination chemistry reviews (01.08.2017)
Published in Coordination chemistry reviews (01.08.2017)
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Journal Article
Kinetic Isotope Effect Determination Probes the Spin of the Transition State, Its Stereochemistry, and Its Ligand Sphere in Hydrogen Abstraction Reactions of Oxoiron(IV) Complexes
Mandal, Debasish, Mallick, Dibyendu, Shaik, Sason
Published in Accounts of chemical research (16.01.2018)
Published in Accounts of chemical research (16.01.2018)
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Journal Article
Na⋅⋅⋅B Bond in NaBH3−: Solving the Conundrum
Radenković, Slavko, Shaik, Sason S., Braïda, Benoît
Published in Angewandte Chemie International Edition (01.06.2021)
Published in Angewandte Chemie International Edition (01.06.2021)
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Journal Article
Hydrogen-Abstraction Reactivity Patterns from A to Y: The Valence Bond Way
Lai, Wenzhen, Li, Chunsen, Chen, Hui, Shaik, Sason
Published in Angewandte Chemie International Edition (04.06.2012)
Published in Angewandte Chemie International Edition (04.06.2012)
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Journal Article
Molecular Dynamics and QM/MM Calculations Predict the Substrate-Induced Gating of Cytochrome P450 BM3 and the Regio- and Stereoselectivity of Fatty Acid Hydroxylation
Dubey, Kshatresh Dutta, Wang, Binju, Shaik, Sason
Published in Journal of the American Chemical Society (27.01.2016)
Published in Journal of the American Chemical Society (27.01.2016)
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Journal Article
Automatic analysis of computed catalytic cycles
Uhe, Andreas, Kozuch, Sebastian, Shaik, Sason
Published in Journal of computational chemistry (15.04.2011)
Published in Journal of computational chemistry (15.04.2011)
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Journal Article