Dibyendu Mallick

Computation Sheds Insight into Iron Porphyrin Carbenes’ Electronic Structure, Formation, and N–H Insertion Reactivity

Dina A. Sharon, Dibyendu Mallick, Binju Wang et al. · Journal of the American Chemical Society · 2016 · 122 citations

N–h Insertion Reactivity, Inorganic Chemistry, Chemical Engineering +15

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

Debasish Mandal, Dibyendu Mallick, Sason Shaik · Accounts of Chemical Research · 2018 · 105 citations

TITAN: A Code for Modeling and Generating Electric Fields—Features and Applications to Enzymatic Reactivity

Thijs Stuyver, Jing Huang, Dibyendu Mallick et al. · Journal of Computational Chemistry · 2019 · 68 citations

Oriented (Local) Electric Fields Drive the Millionfold Enhancement of the H‐Abstraction Catalysis Observed for Synthetic Metalloenzyme Analogues

Thijs Stuyver, Rajeev Ramanan, Dibyendu Mallick et al. · Angewandte Chemie International Edition · 2020 · 66 citations

Structure−Activity Relationship of Photocytotoxic Iron(III) Complexes of Modified Dipyridophenazine Ligands

Sounik Saha, Dibyendu Mallick, Ritankar Majumdar et al. · Inorganic Chemistry · 2011 · 65 citations