| Computation sheds insight into iron porphyrin carbenes’ electronic structure, formation, and N–H insertion reactivity DA Sharon, D Mallick, B Wang, S Shaik Journal of the American Chemical Society 138 (30), 9597-9610, 2016 | 113 | 2016 |
| 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 D Mandal, D Mallick, S Shaik Accounts of Chemical Research 51 (1), 107-117, 2018 | 80 | 2018 |
| Structure− activity relationship of photocytotoxic iron (III) complexes of modified dipyridophenazine ligands S Saha, D Mallick, R Majumdar, M Roy, RR Dighe, ED Jemmis, ... Inorganic Chemistry 50 (7), 2975-2987, 2011 | 66 | 2011 |
| Oriented (Local) Electric Fields Drive the Millionfold Enhancement of the H‐Abstraction Catalysis Observed for Synthetic Metalloenzyme Analogues T Stuyver, R Ramanan, D Mallick, S Shaik Angewandte Chemie 132 (20), 7989-7994, 2020 | 55 | 2020 |
| Which One Is Preferred: Myers− Saito Cyclization of Ene-Yne-Allene or Garratt− Braverman Cyclization of Conjugated Bisallenic Sulfone? A Theoretical and Experimental Study A Basak, S Das, D Mallick, ED Jemmis Journal of the American Chemical Society 131 (43), 15695-15704, 2009 | 53 | 2009 |
| TITAN: A code for modeling and generating electric fields—features and applications to enzymatic reactivity T Stuyver, J Huang, D Mallick, D Danovich, S Shaik Journal of Computational Chemistry 41 (1), 74-82, 2020 | 48 | 2020 |
| Remarkable photocytotoxicity in hypoxic HeLa cells by a dipyridophenazine copper (II) Schiff base thiolate D Lahiri, R Majumdar, D Mallick, TK Goswami, RR Dighe, AR Chakravarty Journal of inorganic biochemistry 105 (8), 1086-1094, 2011 | 46 | 2011 |
| 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 … JEMN Klein, D Mandal, WM Ching, D Mallick, L Que Jr, S Shaik Journal of the American Chemical Society 139 (51), 18705-18713, 2017 | 34 | 2017 |
| Selectivity in Garratt− Braverman Cyclization: An Experimental and Computational Study M Maji, D Mallick, S Mondal, A Anoop, SS Bag, A Basak, ED Jemmis Organic Letters 13 (5), 888-891, 2011 | 31 | 2011 |
| Biocatalytic Aza‐Michael addition of aromatic amines to enone using α‐amylase in water S Dutt, V Goel, N Garg, D Choudhury, D Mallick, V Tyagi Advanced Synthesis & Catalysis 362 (4), 858-866, 2020 | 29 | 2020 |
| 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 D Mallick, S Shaik Journal of the American Chemical Society 139 (33), 11451-11459, 2017 | 26 | 2017 |
| Generation of cationic two-coordinate group-13 ligand systems by spontaneous halide ejection: remarkably nucleophile-resistant (dimethylamino) borylene complexes DA Addy, GA Pierce, D Vidovic, D Mallick, ED Jemmis, JM Goicoechea, ... Journal of the American Chemical Society 132 (13), 4586-4588, 2010 | 24 | 2010 |
| Reactivity of Bispropargyl Sulfones under Basic Conditions: Interplay Between Garratt–Braverman and Schmittel/Myers–Saito Cyclization Pathway R Mukherjee, S Mondal, A Basak, D Mallick, ED Jemmis Chemistry–An Asian Journal 7 (5), 957-965, 2012 | 22 | 2012 |
| Selective functionalization of aliphatic amines via myoglobin-catalyzed carbene N–H insertion V Steck, G Sreenilayam, R Fasan Synlett 31 (03), 224-229, 2020 | 19 | 2020 |
| The Natural Products Withaferin A and Withanone from the Medicinal Herb Withania somnifera Are Covalent Inhibitors of the SARS-CoV-2 Main Protease S Chakraborty, D Mallick, M Goswami, FP Guengerich, A Chakrabarty, ... Journal of Natural Products 85 (10), 2340-2350, 2022 | 15 | 2022 |
| Reversible stimuli-dependent aggregation-induced emission from a “nonfluorescent” amphiphilic PVDF graft copolymer M Pakhira, DP Chatterjee, D Mallick, R Ghosh, AK Nandi Langmuir 37 (16), 4953-4963, 2021 | 15 | 2021 |
| Structure and Bonding in Cyclic Isomers of B2AlHnm (n = 3−6, m = −2 to +1): A Comparative Study with B3Hnm, BAl2Hnm and Al3Hnm D Mallick, P Parameswaran, ED Jemmis The Journal of Physical Chemistry A 112 (50), 13080-13087, 2008 | 14 | 2008 |
| (Dimethylamino) borylene and related complexes of electron-rich metal fragments: generation of nucleophile-resistant cations by spontaneous halide ejection DA Addy, N Phillips, GA Pierce, D Vidovic, T Krämer, D Mallick, ... Organometallics 31 (3), 1092-1102, 2012 | 12 | 2012 |
| Theory Revealing Unusual Non-Rebound Mechanisms Responsible for the Distinct Reactivities of OMnIVO and [HO–MnIV–OH]2+ in C–H Bond Activation D Mallick, S Shaik ACS Catalysis 6 (5), 2877-2888, 2016 | 8 | 2016 |
| Unveiling two antiaromatic s-indacenodicarbazole isomers with tunable paratropicity HK Saha, D Mallick, S Das Chemical Communications 58 (61), 8492-8495, 2022 | 7 | 2022 |
Sason ShaikProfessor of Chemistry, Institute of Chemistry, The Hebrew University of JerusalemVerified email at yfaat.ch.huji.ac.il
