Debasish Mandal

Debasish Mandal

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Debasish Mandal

Debasish Mandal

Publications by authors named "Debasish Mandal"

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31Publications

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Quantum-Dot-Mediated Controlled Synthesis of Dual Oxides of Molybdenum from MoS : Quantification of Supercapacitor Efficacy.

Chem Asian J 2018 Dec 5;13(24):3871-3884. Epub 2018 Nov 5.

Polymer Science Unit, Indian Association for the Cultivation of Science, Jadavpur, Kolkata, 700 032, India.

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http://dx.doi.org/10.1002/asia.201801173DOI Listing
December 2018

Structure and reactivity/selectivity control by oriented-external electric fields.

Chem Soc Rev 2018 Jul;47(14):5125-5145

Institute of Chemistry, The Hebrew University of Jerusalem, 91904, Jerusalem, Israel.

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http://xlink.rsc.org/?DOI=C8CS00354H
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http://dx.doi.org/10.1039/c8cs00354hDOI Listing
July 2018

Catalysis of Methyl Transfer Reactions by Oriented External Electric Fields: Are Gold-Thiolate Linkers Innocent?

J Am Chem Soc 2018 03 19;140(12):4354-4362. Epub 2018 Mar 19.

Institute of Chemistry , The Hebrew University of Jerusalem , Jerusalem , 91904 , Israel.

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http://pubs.acs.org/doi/10.1021/jacs.8b00192
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http://dx.doi.org/10.1021/jacs.8b00192DOI Listing
March 2018

A New Facile Synthesis of Tungsten Oxide from Tungsten Disulfide: Structure Dependent Supercapacitor and Negative Differential Resistance Properties.

Small 2018 01 1;14(4). Epub 2017 Dec 1.

Polymer Science Unit, Indian Association for the Cultivation of Science, Jadavpur, Kolkata, 700 032, India.

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http://dx.doi.org/10.1002/smll.201702881DOI Listing
January 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.

Acc Chem Res 2018 01 3;51(1):107-117. Epub 2018 Jan 3.

Institute of Chemistry, The Hebrew University of Jerusalem , Givat Ram Campus, 91904 Jerusalem, Israel.

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http://dx.doi.org/10.1021/acs.accounts.7b00442DOI Listing
January 2018

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.

J Am Chem Soc 2017 12 12;139(51):18705-18713. Epub 2017 Dec 12.

Institute of Chemistry and the Lise Meitner-Minerva Center for Computational Quantum Chemistry, The Hebrew University of Jerusalem , 91904 Jerusalem, Israel.

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http://dx.doi.org/10.1021/jacs.7b11300DOI Listing
December 2017

Structure and spin state of nonheme FeO complexes depending on temperature: predictive insights from DFT calculations and experiments.

Chem Sci 2017 Aug 30;8(8):5460-5467. Epub 2017 May 30.

Department of Chemistry and Nano Science , Ewha Womans University , Seoul 03760 , Korea . Email: ; Email:

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http://dx.doi.org/10.1039/c7sc01738cDOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5609531PMC
August 2017

Oxoiron(IV) Tetramethylcyclam Complexes with Axial Carboxylate Ligands: Effect of Tethering the Carboxylate on Reactivity.

Inorg Chem 2017 Mar 3;56(6):3287-3301. Epub 2017 Mar 3.

Department of Chemistry and Center for Metals in Biocatalysis, University of Minnesota , Minneapolis, Minnesota 55455, United States.

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http://dx.doi.org/10.1021/acs.inorgchem.6b02659DOI Listing
March 2017

Oriented electric fields as future smart reagents in chemistry.

Nat Chem 2016 11;8(12):1091-1098

Institute of Chemistry and The Lise Meitner-Minerva Center for Computational Quantum Chemistry, Hebrew University of Jerusalem, 91904 Jerusalem, Israel.

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http://dx.doi.org/10.1038/nchem.2651DOI Listing
November 2016

Emergence of Function in P450-Proteins: A Combined Quantum Mechanical/Molecular Mechanical and Molecular Dynamics Study of the Reactive Species in the H2O2-Dependent Cytochrome P450SPα and Its Regio- and Enantioselective Hydroxylation of Fatty Acids.

J Am Chem Soc 2016 06 22;138(21):6786-97. Epub 2016 Apr 22.

Institute of Chemistry and the Lise Meitner-Minerva Center for Computational Quantum Chemistry, The Hebrew University of Jerusalem , 91904 Jerusalem, Israel.

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http://dx.doi.org/10.1021/jacs.6b01716DOI Listing
June 2016

Interplay of Tunneling, Two-State Reactivity, and Bell-Evans-Polanyi Effects in C-H Activation by Nonheme Fe(IV)O Oxidants.

J Am Chem Soc 2016 Feb 9;138(7):2094-7. Epub 2016 Feb 9.

Institute of Chemistry and the Lise Meitner-Minerva Center for Computational Quantum Chemistry, The Hebrew University of Jerusalem , 91904 Jerusalem, Israel.

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http://dx.doi.org/10.1021/jacs.5b12077DOI Listing
February 2016

Oxoiron(IV) Complex of the Ethylene-Bridged Dialkylcyclam Ligand Me2EBC.

Inorg Chem 2015 Aug 5;54(16):7828-39. Epub 2015 Aug 5.

†Department of Chemistry and Center for Metals in Biocatalysis, University of Minnesota, Minneapolis, Minnesota 55455, United States.

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http://dx.doi.org/10.1021/acs.inorgchem.5b00861DOI Listing
August 2015

Interplay of Experiment and Theory in Elucidating Mechanisms of Oxidation Reactions by a Nonheme Ru(IV)O Complex.

J Am Chem Soc 2015 Jul 29;137(26):8623-32. Epub 2015 Jun 29.

†Department of Chemistry and Nano Science, Ewha Womans University, Seoul 120-750, Korea.

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http://dx.doi.org/10.1021/jacs.5b04787DOI Listing
July 2015

Determination of Spin Inversion Probability, H-Tunneling Correction, and Regioselectivity in the Two-State Reactivity of Nonheme Iron(IV)-Oxo Complexes.

J Phys Chem Lett 2015 Apr 6;6(8):1472-6. Epub 2015 Apr 6.

†Department of Chemistry and Nano Science, Ewha Womans University, Seoul 120-750, Korea.

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http://dx.doi.org/10.1021/acs.jpclett.5b00527DOI Listing
April 2015

How does tunneling contribute to counterintuitive H-abstraction reactivity of nonheme Fe(IV)O oxidants with alkanes?

J Am Chem Soc 2015 Jan 9;137(2):722-33. Epub 2015 Jan 9.

Institute of Chemistry and the Lise Meitner-Minerva Center for Computational Quantum Chemistry, The Hebrew University of Jerusalem , 91904 Jerusalem, Israel.

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http://dx.doi.org/10.1021/ja509465wDOI Listing
January 2015

Ratiometric sensing of fluoride and acetate anions based on a BODIPY-azaindole platform and its application to living cell imaging.

Analyst 2014 Jan 19;139(1):309-17. Epub 2013 Nov 19.

Department of Chemistry, Bengal Engineering and Science University, Shibpur, Howrah 711103, India.

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http://dx.doi.org/10.1039/c3an01663cDOI Listing
January 2014

Highly sensitive and selective rhodamine-based "off-on" reversible chemosensor for tin (Sn4+) and imaging in living cells.

Inorg Chem 2013 Oct 25;52(19):10825-34. Epub 2013 Sep 25.

Department of Chemistry and ‡Centre for Healthcare Science & Technology, Bengal Engineering and Science University , Shibpur, Howrah-711103, India.

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http://dx.doi.org/10.1021/ic4007026DOI Listing
October 2013

Kinetics and mechanism of the tropospheric oxidation of vinyl acetate initiated by OH radical: a theoretical study.

J Phys Chem A 2013 May 30;117(18):3739-50. Epub 2013 Apr 30.

Department of Spectroscopy, Indian Association for the Cultivation of Science , Jadavpur, Kolkata 700 032, India.

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http://dx.doi.org/10.1021/jp3126736DOI Listing
May 2013

Occurrence of gravid Loa loa in subconjunctival space of man: a case report from West Bengal, India.

J Parasit Dis 2013 Apr 3;37(1):52-5. Epub 2012 Jul 3.

Department of Zoology, University of Calcutta, 35 Ballygunge Circular Road, Kolkata, 700019 India.

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http://link.springer.com/content/pdf/10.1007%2Fs12639-012-01
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http://link.springer.com/10.1007/s12639-012-0130-3
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http://dx.doi.org/10.1007/s12639-012-0130-3DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3590370PMC
April 2013

Interaction between group IIb divalent transition-metal cations and 3-mercaptopropionic acid: a computational and topological perspective.

J Phys Chem A 2013 Feb 5;117(7):1601-13. Epub 2013 Feb 5.

Department of Spectroscopy, Indian Association for the Cultivation of Science, Jadavpur, Kolkata 700032, India.

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http://pubs.acs.org/doi/10.1021/jp309792v
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http://dx.doi.org/10.1021/jp309792vDOI Listing
February 2013

Fluorescence sensing of caffeine in aqueous solution with carbazole-based probe and imaging application in live cells.

Bioorg Med Chem Lett 2012 Sep 21;22(17):5379-83. Epub 2012 Jul 21.

Department of Chemistry, Bengal Engineering and Science University, Shibpur, Howrah 711103, India.

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https://linkinghub.elsevier.com/retrieve/pii/S0960894X120093
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http://dx.doi.org/10.1016/j.bmcl.2012.07.055DOI Listing
September 2012

Aminolysis of a model nerve agent: a computational reaction mechanism study of O,S-dimethyl methylphosphonothiolate.

J Phys Chem A 2012 Aug 8;116(32):8382-96. Epub 2012 Aug 8.

Department of Spectroscopy, Indian Association for the Cultivation of Science, Jadavpur, Kolkata, India.

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http://dx.doi.org/10.1021/jp305994gDOI Listing
August 2012

Nucleophilic degradation of fenitrothion insecticide and performance of nucleophiles: a computational study.

J Phys Chem A 2012 Mar 5;116(10):2536-46. Epub 2012 Mar 5.

Department of Spectroscopy, Indian Association for the Cultivation of Science, Jadavpur, Kolkata 700 032, India.

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http://pubs.acs.org/doi/10.1021/jp2100057
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http://dx.doi.org/10.1021/jp2100057DOI Listing
March 2012

Pyrolysis of tert-butyl tert-butanethiosulfinate, t-BuS(O)St-Bu: a computational perspective of the decomposition pathways.

J Phys Chem A 2011 Apr 18;115(14):3068-78. Epub 2011 Mar 18.

Department of Spectroscopy, Indian Association for the Cultivation of Science, Jadavpur, Kolkata 700 032, India.

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http://dx.doi.org/10.1021/jp109725wDOI Listing
April 2011

The association reaction between C2H and 1-butyne: a computational chemical kinetics study.

Phys Chem Chem Phys 2011 Mar 28;13(10):4583-95. Epub 2011 Jan 28.

Department of Spectroscopy, Indian Association for the Cultivation of Science, Jadavpur, Kolkata 700032, India.

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http://dx.doi.org/10.1039/c0cp02368jDOI Listing
March 2011

Isomerization and decomposition of a model nerve agent: a computational analysis of the reaction energetics and kinetics of dimethyl ethylphosphonate.

J Phys Chem A 2010 Oct;114(39):10717-25

Department of Spectroscopy, Indian association for the Cultivation of Science, Jadavpur, Kolkata 700 032, India.

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http://pubs.acs.org/doi/abs/10.1021/jp106270d
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http://dx.doi.org/10.1021/jp106270dDOI Listing
October 2010

Computational study on the growth of gallium nitride and a possible source of oxygen impurity.

J Phys Chem A 2010 Apr;114(14):5016-25

Department of Spectroscopy, Indian Association for the Cultivation of Science, Jadavpur, Kolkata 700032.

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http://dx.doi.org/10.1021/jp100332tDOI Listing
April 2010