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Journal of the American Chemical Society|February 3, 2023
How Can Static and Oscillating Electric Fields Serve in Decomposing Alzheimer's and Other Senile Plaques?Surajit Kalita, Hagai Bergman, Kshatresh Dutta Dubey, et al.Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|May 30, 2008
A valence bond study of the low-lying states of the NF moleculePeifeng Su, Wei Wu, Sason Shaik, et al.Journal of the American Chemical Society|November 30, 2006
Characterization of manganese(V)-oxo polyoxometalate intermediates and their properties in oxygen-transfer reactionsAlex M Khenkin, Devesh Kumar, Sason Shaik, et al.Angewandte Chemie (International Ed. in English)|January 9, 2009
A two-state reactivity model explains unusual kinetic isotope effect patterns in C-H bond cleavage by nonheme oxoiron(IV) complexesEric J Klinker, Sason Shaik, Hajime Hirao, et al.The Journal of Physical Chemistry. A|August 22, 2008
No-pair bonding in coinage metal dimersDavid Danovich, Michael FilatovProceedings of the National Academy of Sciences of the United States of America|December 28, 2006
Structure and quantum chemical characterization of chloroperoxidase compound 0, a common reaction intermediate of diverse heme enzymesKarin Kühnel, Etienne Derat, James Terner, et al.Journal of the American Chemical Society|May 28, 2019
Fenton-Derived OH Radicals Enable the MPnS Enzyme to Convert 2-Hydroxyethylphosphonate to Methylphosphonate: Insights from Ab Initio QM/MM MD SimulationsBinju Wang, Zexing Cao, Carme Rovira, et al.The Journal of Physical Chemistry. B|July 4, 2008
Quantum mechanical/molecular mechanical study on the mechanisms of compound I formation in the catalytic cycle of chloroperoxidase: an overview on heme enzymesHui Chen, Hajime Hirao, Etienne Derat, et al.Journal of Chemical Theory and Computation|December 2, 2015
Covalent Excited States of Polyenes C2nH2n+2 (n = 2-8) and Polyenyl Radicals C2n-1H2n+1 (n = 2-8): An Ab Initio Valence Bond StudyJunjing Gu, Yonghui Lin, Ben Ma, et al.The Journal of Organic Chemistry|March 29, 2003
Fluorinated alcohols enable olefin epoxidation by H2O2: template catalysisSamuël P de Visser, Jose Kaneti, Ronny Neumann, et al.Pageof 30