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Chemistry (Weinheim an Der Bergstrasse, Germany)|April 19, 2023
Dichotomy of Delocalization/Localization and Charge-Shift Bonding in Germanazene and its Heavier Group 14 Analogues: a Valence Bond StudyShailja Jain, David Danovich, Slavko Radenković, et al.Journal of the American Chemical Society|June 29, 2006
Two-state reactivity in alkane hydroxylation by non-heme iron-oxo complexesHajime Hirao, Devesh Kumar, Lawrence Que, et al.Journal of Chemical Theory and Computation|November 26, 2015
Which Density Functional Is the Best in Computing C-H Activation Energies by Pincer Complexes of Late Platinum Group Metals?Wenzhen Lai, Jiannian Yao, Sason Shaik, et al.The Journal of Physical Chemistry. B|February 12, 2010
An acyl group makes a difference in the reactivity patterns of cytochrome P450 catalyzed N-demethylation of substituted N,N-dimethylbenzamides-high spin selective reactionsYong Wang, Dongmei Li, Keli Han, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|March 4, 2005
Multistate reactivity in styrene epoxidation by compound I of cytochrome p450: mechanisms of products and side products formationDevesh Kumar, Sam P de Visser, Sason ShaikJournal of the American Chemical Society|March 8, 2018
Catalysis of Methyl Transfer Reactions by Oriented External Electric Fields: Are Gold-Thiolate Linkers Innocent?Rajeev Ramanan, David Danovich, Debasish Mandal, et al.Journal of Biological Inorganic Chemistry : JBIC : a Publication of the Society of Biological Inorganic Chemistry|September 15, 2004
One oxidant, many pathways: a theoretical perspective of monooxygenation mechanisms by cytochrome P450 enzymesSason Shaik, Samuël P de Visser, Devesh KumarJournal of the American Chemical Society|June 2, 2005
Theoretical investigation of C--H hydroxylation by (N4Py)Fe(IV)=O(2+): an oxidant more powerful than P450?Devesh Kumar, Hajime Hirao, Lawrence Que, et al.Journal of Chemical Theory and Computation|November 25, 2015
Perferryl Fe(V)-Oxo Nonheme Complexes: Do They Have High-Spin or Low-Spin Ground States?Hui Chen, Wenzhen Lai, Jiannian Yao, et al.Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|December 10, 2009
Oriented electric fields accelerate Diels-Alder reactions and control the endo/exo selectivityRinat Meir, Hui Chen, Wenzhen Lai, et al.Pageof 34