Soumya Ghosh - Publications

Affiliations: 
TIFR Centre for Interdisciplinary Sciences  
Area:
Computational and theoretical chemistry

21 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2023 Sahil M, Singh T, Ghosh S, Mondal J. 3site Multisubstrate-Bound State of Cytochrome P450cam. Journal of the American Chemical Society. 145: 23488-23502. PMID 37867463 DOI: 10.1021/jacs.3c06144  0.677
2023 Mondal S, Singh T, Baguli S, Ghosh S, Mukherjee D. A N-Heterocyclic Carbene Supported Zinc Catalyst for the 1,2-Regioselective Hydroboration of N-heteroarenes. Chemistry (Weinheim An Der Bergstrasse, Germany). e202300508. PMID 37078973 DOI: 10.1002/chem.202300508  0.697
2020 Anson CW, Ghosh S, Hammes-Schiffer S, Stahl SS. Correction to "Co(salophen)-Catalyzed Aerobic Oxidation of -Hydroquinone: Mechanism and Implications for Aerobic Oxidation Catalysis". Journal of the American Chemical Society. PMID 33319551 DOI: 10.1021/jacs.0c11959  0.392
2019 Althorpe SC, Barford W, Blumberger J, Bungey C, Burghardt I, Datta A, Ghosh S, Giannini S, Grünbaum T, Habershon S, Hammes-Schiffer S, Hay S, Iyengar S, Jones G, Kelly A, et al. Emerging opportunities and future directions: general discussion. Faraday Discussions. PMID 31777883 DOI: 10.1039/C9Fd90077B  0.588
2019 Ghosh S, Giannini S, Lively K, Blumberger J. Nonadiabatic dynamics with quantum nuclei: simulating charge transfer with ring polymer surface hopping. Faraday Discussions. PMID 31538635 DOI: 10.1039/C9Fd00046A  0.585
2019 Giannini S, Carof A, Ellis M, Yang H, Ziogos OG, Ghosh S, Blumberger J. Quantum localization and delocalization of charge carriers in organic semiconducting crystals. Nature Communications. 10: 3843. PMID 31451687 DOI: 10.1038/S41467-019-11775-9  0.558
2018 Wang YH, Goldsmith ZK, Schneider PE, Anson CW, Gerken JB, Ghosh S, Hammes-Schiffer S, Stahl SS. Kinetic and Mechanistic Characterization of Low-Overpotential, H2O2-Selective Reduction of O2 Catalyzed by N2O2-Ligated Cobalt Complexes. Journal of the American Chemical Society. PMID 30060652 DOI: 10.1021/Jacs.8B06394  0.67
2017 Ghosh S, Soudackov AV, Hammes-Schiffer S. Role of Proton Diffusion in the Nonexponential Kinetics of Proton-Coupled Electron Transfer from Photoreduced ZnO Nanocrystals. Acs Nano. PMID 28925682 DOI: 10.1021/Acsnano.7B05009  0.533
2017 Ghosh S, Castillo-Lora J, Soudackov AV, Mayer JM, Hammes-Schiffer S. Theoretical Insights into Proton-Coupled Electron Transfer from a Photoreduced ZnO Nanocrystal to an Organic Radical. Nano Letters. PMID 28846428 DOI: 10.1021/Acs.Nanolett.7B02642  0.541
2016 Ghosh S, Soudackov AV, Hammes-Schiffer S. Electrochemical Electron Transfer and Proton-Coupled Electron Transfer: Effects of Double Layer and Ionic Environment on Solvent Reorganization Energies. Journal of Chemical Theory and Computation. PMID 27111050 DOI: 10.1021/Acs.Jctc.6B00233  0.501
2016 Anson CW, Ghosh S, Hammes-Schiffer S, Stahl SS. Co(salophen)-Catalyzed Aerobic Oxidation of para-Hydroquinone: Mechanism and Implications for Aerobic Oxidation Catalysis. Journal of the American Chemical Society. PMID 26924338 DOI: 10.1021/Jacs.6B00254  0.549
2015 Ghosh S, Hammes-Schiffer S. Calculation of Electrochemical Reorganization Energies for Redox Molecules at Self-Assembled Monolayer Modified Electrodes. The Journal of Physical Chemistry Letters. 6: 1-5. PMID 26263083 DOI: 10.1021/Jz5023784  0.507
2015 Thompson R, Tran BL, Ghosh S, Chen CH, Pink M, Gao X, Carroll PJ, Baik MH, Mindiola DJ. Addition of Si-H and B-H bonds and redox reactivity involving low-coordinate nitrido-vanadium complexes. Inorganic Chemistry. 54: 3068-77. PMID 25732980 DOI: 10.1021/Acs.Inorgchem.5B00302  0.555
2015 Crandell DW, Ghosh S, Berlinguette CP, Baik MH. How a [Co(IV) a bond and a half O](2+) fragment oxidizes water: involvement of a biradicaloid [Co(II)-(⋅O⋅)](2+) species in forming the O-O bond. Chemsuschem. 8: 844-52. PMID 25641853 DOI: 10.1002/Cssc.201403024  0.569
2015 Ghosh S, Baik MH. Mechanism of redox-active ligand-assisted nitrene-group transfer in a Zr(IV) complex: direct ligand-to-ligand charge transfer preferred. Chemistry (Weinheim An Der Bergstrasse, Germany). 21: 1780-9. PMID 25470137 DOI: 10.1002/Chem.201405738  0.548
2014 Ghosh S, Horvath S, Soudackov AV, Hammes-Schiffer S. Electrochemical Solvent Reorganization Energies in the Framework of the Polarizable Continuum Model. Journal of Chemical Theory and Computation. 10: 2091-102. PMID 26580536 DOI: 10.1021/Ct500051E  0.503
2014 Chakraborty S, Reed J, Ross M, Nilges MJ, Petrik ID, Ghosh S, Hammes-Schiffer S, Sage JT, Zhang Y, Schulz CE, Lu Y. Spectroscopic and computational study of a nonheme iron nitrosyl center in a biosynthetic model of nitric oxide reductase. Angewandte Chemie (International Ed. in English). 53: 2417-21. PMID 24481708 DOI: 10.1002/Anie.201308431  0.529
2014 Ghosh S, Horvath S, Soudackov AV, Hammes-Schiffer S. Electrochemical solvent reorganization energies in the framework of the polarizable continuum model Journal of Chemical Theory and Computation. 10: 2091-2102. DOI: 10.1021/ct500051e  0.376
2013 Tran BL, Thompson R, Ghosh S, Gao X, Chen CH, Baik MH, Mindiola DJ. A four-coordinate thionitrosyl complex of vanadium. Chemical Communications (Cambridge, England). 49: 2768-70. PMID 23439957 DOI: 10.1039/C3Cc38799B  0.509
2012 Ghosh S, Baik MH. The mechanism of O-O bond formation in Tanaka's water oxidation catalyst. Angewandte Chemie (International Ed. in English). 51: 1221-4. PMID 22213120 DOI: 10.1002/Anie.201106337  0.503
2011 Ghosh S, Baik MH. Redox properties of Tanaka's water oxidation catalyst: redox noninnocent ligands dominate the electronic structure and reactivity. Inorganic Chemistry. 50: 5946-57. PMID 21634385 DOI: 10.1021/Ic102427G  0.578
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