Dibyendu Mallick, Ph. D

Institute of Chemistry Hebrew University, Jerusalem, Jerusalem, Israel 
Computational Chemistry
"Dibyendu Mallick"
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Eluvathingal Devassay Jemmis grad student 2008-2013 Indian Institute of Science
 (Postdoctoral Associate, The Hebrew University of Jerusalem)
Sason S. Shaik post-doc 2014- Hebrew University
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Laconsay CJ, Mallick D, Shaik S. (2020) External Electric Fields Interrupt the Concerted Cope Rearrangement of Semibullvalene. The Journal of Organic Chemistry
Stuyver T, Ramanan R, Mallick D, et al. (2020) Oriented (Local) Electric Fields Drive the Millionfold Enhancement of the H-Abstraction Catalysis Observed for Synthetic Metalloenzyme Analogues. Angewandte Chemie (International Ed. in English)
Stuyver T, Huang J, Mallick D, et al. (2019) TITAN: A Code for Modeling and Generating Electric Fields-Features and Applications to Enzymatic Reactivity. Journal of Computational Chemistry
Mandal D, Mallick D, Shaik S. (2018) 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. Accounts of Chemical Research
Klein JEMN, Mandal D, Ching WM, et al. (2017) Privileged Role of Thiolate as the Axial Ligand in Hydrogen Atom Transfer Reactions by Oxoiron(IV) Complexes in Shaping the Potential Energy Surface and Inducing Significant H-Atom Tunneling. Journal of the American Chemical Society
Mallick D, Shaik S. (2017) Kinetic Isotope Effect Probes the Reactive-Spin State, as Well as the Geometric Feature and Constitution of the Transition State During H-Abstraction by Heme Compound II Complexes. Journal of the American Chemical Society
Sharon DA, Mallick D, Wang B, et al. (2016) Computation Sheds Insight into Iron Porphyrin Carbenes' Electronic Structure, Formation, and N-H Insertion Reactivity. Journal of the American Chemical Society
Mallick D, Shaik S. (2016) Theory Revealing Unusual Non-Rebound Mechanisms Responsible for the Distinct Reactivities of O═MnIV═O and [HO–MnIV–OH]2+ in C–H Bond Activation Acs Catalysis. 6: 2877-2888
Saha S, Sen C, Roy S, et al. (2015) Structure and photochromism of Zn(II) thiocyanato complexes of 1-alkyl-2-{(o-thioalkyl)phenylazo}imidazole Polyhedron. 97: 240-247
Mallick D, Jemmis ED. (2015) Structural variations in aromatic 2π-electron three-membered rings of the main group elements Journal of Chemical Sciences. 127: 183-196
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