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Journal of the American Chemical Society|December 18, 2003
Active species of horseradish peroxidase (HRP) and cytochrome P450: two electronic chameleonsSam P de Visser, Sason Shaik, Pankaz K Sharma, et al.Journal of Biological Inorganic Chemistry : JBIC : a Publication of the Society of Biological Inorganic Chemistry|February 22, 2005
The intrinsic axial ligand effect on propene oxidation by horseradish peroxidase versus cytochrome P450 enzymesDevesh Kumar, Sam P de Visser, Pankaz K Sharma, et al.Angewandte Chemie (International Ed. in English)|May 2, 2018
Silynes (RC≡SiR') and Disilynes (RSi≡SiR'): Why Are Less Bonds Worth Energetically More?David Danovich, François Ogliaro, Miriam Karni, et al.Journal of Chemical Theory and Computation|November 19, 2015
Charge-Shift Bonding Emerges as a Distinct Electron-Pair Bonding Family from Both Valence Bond and Molecular Orbital TheoriesHuaiyu Zhang, David Danovich, Wei Wu, et al.Journal of the American Chemical Society|March 14, 2002
Searching for the second oxidant in the catalytic cycle of cytochrome P450: a theoretical investigation of the iron(III)-hydroperoxo species and its epoxidation pathwaysFrançois Ogliaro, Sam P de Visser, Shimrit Cohen, et al.Journal of Chemical Theory and Computation|November 26, 2015
Bonding Conundrums in the C2 Molecule: A Valence Bond StudyPeifeng Su, Jifang Wu, Junjing Gu, et al.The Journal of Physical Chemistry. B|November 21, 2007
QM/MM study of the active species of the human cytochrome P450 3A4, and the influence thereof of the multiple substrate bindingDan Fishelovitch, Carina Hazan, Hajime Hirao, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|June 21, 2012
Correlating DFT-calculated energy barriers to experiments in nonheme octahedral Fe(IV)O speciesKyung-Bin Cho, Eun Jeong Kim, Mi Sook Seo, et al.The Journal of Organic Chemistry|June 13, 2020
Heavy-Atom Tunneling Processes during Denitrogenation of 2,3-Diazabicyclo[2.2.1]hept-2-ene and Ring Closure of Cyclopentane-1,3-diyl Diradical. Stereoselectivity in Tunneling and Matrix EffectSujan K Sarkar, Ephrath Solel, Sebastian Kozuch, et al.Journal of the American Chemical Society|June 17, 2016
How do Enzymes Utilize Reactive OH Radicals? Lessons from Nonheme HppE and Fenton SystemsBinju Wang, Jiarui Lu, Kshatresh Dutta Dubey, et al.Pageof 34