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Journal of the American Chemical Society|October 31, 2024
A Gravitational-like Relationship of Dispersion Interactions is Exhibited by 40 Pairs of Molecules and Noble Gas AtomsDavid Danovich, Alexandre Tkatchenko, Santiago Alvarez, et al.
Angewandte Chemie (International Ed. in English)|February 1, 2024
Flavin-N5OOH Functions as both a Powerful Nucleophile and a Base in the Superfamily of FlavoenzymesQiaoyu Zhang, Qianqian Chen, Sason Shaik, et al.
Angewandte Chemie (International Ed. in English)|May 2, 2018
How Does Ethene Inactivate Cytochrome P450 En Route to Its Epoxidation? A Density Functional StudySam P de Visser, François Ogliaro, Sason Shaik
Journal of the American Chemical Society|December 19, 2024
Unraveling the Bonding and Aromaticity of Pentazole, Pentaphosphole, and Cyclopentadiene Anions: A Comprehensive StudyShailja Jain, David Danovich, Slavko Radenković, et al.
Angewandte Chemie (International Ed. in English)|February 26, 2020
Oriented (Local) Electric Fields Drive the Millionfold Enhancement of the H-Abstraction Catalysis Observed for Synthetic Metalloenzyme AnaloguesThijs Stuyver, Rajeev Ramanan, Dibyendu Mallick, et al.
Journal of the American Chemical Society|August 4, 2022
Valence-Inverted States of Nickel(II) Complexes Perform Facile C-H Bond ActivationShaohong Wang, Pengchen Ma, Sason Shaik, et al.
Journal of the American Chemical Society|June 24, 2020
Covalent vs Charge-Shift Nature of the Metal-Metal Bond in Transition Metal Complexes: A Unified UnderstandingJyothish Joy, David Danovich, Martin Kaupp, et al.
Journal of the American Chemical Society|October 5, 2006
QM/MM study of mechanisms for compound I formation in the catalytic cycle of cytochrome P450camJingjing Zheng, Dongqi Wang, Walter Thiel, et al.
Angewandte Chemie (International Ed. in English)|May 9, 2012
Hydrogen-abstraction reactivity patterns from A to Y: the valence bond wayWenzhen Lai, Chunsen Li, Hui Chen, et al.
Angewandte Chemie (International Ed. in English)|May 2, 2018
The Twin-Excited State as a Probe for the Transition State in Concerted Unimolecular Reactions: The Semibullvalene RearrangementShmuel Zilberg, Yehuda Haas, David Danovich, et al.
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