Debasish Mandal, Ph. D

Institute of Chemistry Hebrew University, Jerusalem, Jerusalem, Israel 
Computational Chemistry
"Debasish Mandal"
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Katoch A, Mandal D. (2022) Effect of the substituent on C-H activation catalyzed by a non-heme Fe(IV)O complex: a computational investigation of reactivity and hydrogen tunneling. Dalton Transactions (Cambridge, England : 2003)
Jaglan R, Mandal D. (2020) The role of potential energy surface in quantum mechanical tunneling: A computational perspective Computational and Theoretical Chemistry. 1187: 112920
Ghorai K, Panda A, Bhattacharjee M, et al. (2020) Facile synthesis of CuCr2O4/CeO2 nanocomposite: A new Fenton like catalyst with domestic LED light assisted improved photocatalytic activity for the degradation of RhB, MB and MO dyes Applied Surface Science. 147604
Shaik S, Ramanan R, Danovich D, et al. (2018) Structure and reactivity/selectivity control by oriented-external electric fields. Chemical Society Reviews
Ramanan R, Danovich D, Mandal D, et al. (2018) Catalysis of Methyl Transfer Reactions by Oriented External Electric Fields: Are Gold-Thiolate Linkers Innocent? Journal of the American Chemical Society
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
Manna S, Karmakar P, Ali SS, et al. (2018) A Michael addition–cyclization-based switch-on fluorescent chemodosimeter for cysteine and its application in live cell imaging New Journal of Chemistry. 42: 4951-4958
Guria UN, Maiti K, Ali SS, et al. (2018) Reaction-based bi-signaling chemodosimeter probe for selective detection of hydrogen sulfide and cellular studies New Journal of Chemistry. 42: 5367-5375
Karmakar P, Manna S, Ali SS, et al. (2018) Reaction-based ratiometric fluorescent probe for selective recognition of sulfide anions with a large Stokes shift through switching on ESIPT New Journal of Chemistry. 42: 76-84
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
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