| Year |
Citation |
Score |
| 2024 |
Katoch A, Mandal D. High-valent nonheme Fe(IV)O/Ru(IV)O complexes catalyze C-H activation reactivity and hydrogen tunneling: a comparative DFT investigation. Dalton Transactions (Cambridge, England : 2003). 53: 2386-2394. PMID 38214597 DOI: 10.1039/d3dt03155a |
0.387 |
|
| 2022 |
Katoch A, Mandal D. 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). PMID 35792604 DOI: 10.1039/d2dt01529c |
0.37 |
|
| 2020 |
Jaglan R, Mandal D. The role of potential energy surface in quantum mechanical tunneling: A computational perspective Computational and Theoretical Chemistry. 1187: 112920. DOI: 10.1016/J.Comptc.2020.112920 |
0.345 |
|
| 2020 |
Ghorai K, Panda A, Bhattacharjee M, Mandal D, Hossain A, Bera P, Seikh MM, Gayen A. 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. DOI: 10.1016/J.Apsusc.2020.147604 |
0.304 |
|
| 2018 |
Shaik S, Ramanan R, Danovich D, Mandal D. Structure and reactivity/selectivity control by oriented-external electric fields. Chemical Society Reviews. PMID 29979456 DOI: 10.1039/C8Cs00354H |
0.464 |
|
| 2018 |
Ramanan R, Danovich D, Mandal D, Shaik S. Catalysis of Methyl Transfer Reactions by Oriented External Electric Fields: Are Gold-Thiolate Linkers Innocent? Journal of the American Chemical Society. PMID 29512385 DOI: 10.1021/Jacs.8B00192 |
0.494 |
|
| 2018 |
Mandal D, Mallick D, Shaik S. 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. PMID 29297671 DOI: 10.1021/Acs.Accounts.7B00442 |
0.655 |
|
| 2018 |
Manna S, Karmakar P, Ali SS, Guria UN, Sarkar R, Datta P, Mandal D, Mahapatra AK. 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. DOI: 10.1039/C8Nj00465J |
0.34 |
|
| 2018 |
Guria UN, Maiti K, Ali SS, Samanta SK, Mandal D, Sarkar R, Datta P, Ghosh AK, Mahapatra AK. Reaction-based bi-signaling chemodosimeter probe for selective detection of hydrogen sulfide and cellular studies New Journal of Chemistry. 42: 5367-5375. DOI: 10.1039/C7Nj04632D |
0.355 |
|
| 2018 |
Karmakar P, Manna S, Ali SS, Guria UN, Sarkar R, Datta P, Mandal D, Mahapatra AK. 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. DOI: 10.1039/C7Nj03207B |
0.32 |
|
| 2017 |
Klein JEMN, Mandal D, Ching WM, Mallick D, Que L, Shaik S. 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. PMID 29179544 DOI: 10.1021/Jacs.7B11300 |
0.684 |
|
| 2017 |
Lee NY, Mandal D, Bae SH, Seo MS, Lee YM, Shaik S, Cho KB, Nam W. Structure and spin state of nonheme Fe(IV)O complexes depending on temperature: predictive insights from DFT calculations and experiments. Chemical Science. 8: 5460-5467. PMID 28970926 DOI: 10.1039/C7Sc01738C |
0.53 |
|
| 2017 |
Bigelow JO, England J, Klein JE, Farquhar ER, Frisch JR, Martinho M, Mandal D, Münck E, Shaik S, Que L. Oxoiron(IV) Tetramethylcyclam Complexes with Axial Carboxylate Ligands: Effect of Tethering the Carboxylate on Reactivity. Inorganic Chemistry. PMID 28257190 DOI: 10.1021/Acs.Inorgchem.6B02659 |
0.541 |
|
| 2017 |
Manna S, Karmakar P, Maiti K, Ali SS, Mandal D, Mahapatra AK. A reactive primary fluorescence switch-on sensor for Hg 2+ and the generated fluorophore as secondary recognition receptor toward Cu 2+ in aqueous acetonitrile solution Journal of Photochemistry and Photobiology a: Chemistry. 343: 7-16. DOI: 10.1016/J.Jphotochem.2017.04.011 |
0.324 |
|
| 2016 |
Shaik S, Mandal D, Ramanan R. Oriented electric fields as future smart reagents in chemistry. Nature Chemistry. 8: 1091-1098. PMID 27874869 DOI: 10.1038/Nchem.2651 |
0.507 |
|
| 2016 |
Ramanan R, Dubey KD, Wang B, Mandal D, Shaik S. Emergence of Function in P450-Proteins: A Combined QM/MM and MD Study of the Reactive Species in the H2O2-Dependent Cytochrome P450SPα and Its Regio- and Enantioselective Hydroxylation of Fatty Acids. Journal of the American Chemical Society. PMID 27059179 DOI: 10.1021/Jacs.6B01716 |
0.729 |
|
| 2016 |
Mandal D, Shaik S. Interplay of Tunneling, Two-state Reactivity and Bell Evans Polanyi Effects In C-H Activation by Nonheme Fe(IV)O Oxidants. Journal of the American Chemical Society. PMID 26824716 DOI: 10.1021/Jacs.5B12077 |
0.59 |
|
| 2016 |
Mahapatra AK, Manna S, Karmakar P, Maiti K, Maji R, Mandal D, Uddin R, Mandal S. Installation of efficient quenching groups of a fluorescent probe for the specific detection of cysteine and homocysteine over glutathione in solution and imaging of living cells Supramolecular Chemistry. 1-10. DOI: 10.1080/10610278.2016.1170127 |
0.32 |
|
| 2016 |
Naskar B, Modak R, Sikdar Y, Maiti DK, Banik A, Dangar TK, Mukhopadhyay S, Mandal D, Goswami S. A simple Schiff base molecular logic gate for detection of Zn2+ in water and its bio-imaging application in plant system Journal of Photochemistry and Photobiology a: Chemistry. 321: 99-109. DOI: 10.1016/J.Jphotochem.2016.01.022 |
0.336 |
|
| 2015 |
Kwon YH, Mai BK, Lee YM, Dhuri SN, Mandal D, Cho KB, Kim Y, Shaik S, Nam W. Determination of Spin Inversion Probability, H-Tunneling Correction, and Regioselectivity in the Two-State Reactivity of Nonheme Iron(IV)-Oxo Complexes. The Journal of Physical Chemistry Letters. 6: 1472-6. PMID 26263154 DOI: 10.1021/Acs.Jpclett.5B00527 |
0.581 |
|
| 2015 |
England J, Prakash J, Cranswick MA, Mandal D, Guo Y, Münck E, Shaik S, Que L. Oxoiron(IV) Complex of the Ethylene-Bridged Dialkylcyclam Ligand Me2EBC. Inorganic Chemistry. 54: 7828-39. PMID 26244657 DOI: 10.1021/Acs.Inorgchem.5B00861 |
0.572 |
|
| 2015 |
Dhuri SN, Cho KB, Lee YM, Shin SY, Kim JH, Mandal D, Shaik S, Nam W. Interplay of Experiment and Theory in Elucidating Mechanisms of Oxidation Reactions by a Nonheme Ru(IV)O Complex. Journal of the American Chemical Society. 137: 8623-32. PMID 26075466 DOI: 10.1021/Jacs.5B04787 |
0.589 |
|
| 2015 |
Mandal D, Ramanan R, Usharani D, Janardanan D, Wang B, Shaik S. How does tunneling contribute to counterintuitive H-abstraction reactivity of nonheme Fe(IV)O oxidants with alkanes? Journal of the American Chemical Society. 137: 722-33. PMID 25513834 DOI: 10.1021/Ja509465W |
0.751 |
|
| 2015 |
Mahapatra AK, Mondal S, Manna SK, Maiti K, Maji R, Ali SS, Mandal D, Uddin MR, Mandal S. Reaction-based sensing of fluoride ions using desilylation method for triggering excited-state intramolecular proton transfer Supramolecular Chemistry. 1-14. DOI: 10.1080/10610278.2015.1122195 |
0.362 |
|
| 2015 |
Mahapatra AK, Karmakar P, Roy J, Manna S, Maiti K, Sahoo P, Mandal D. Colorimetric and ratiometric fluorescent chemosensor for fluoride ions based on phenanthroimidazole (PI): Spectroscopic, NMR and density functional studies Rsc Advances. 5: 37935-37942. DOI: 10.1039/C5Ra05327G |
0.34 |
|
| 2015 |
Mahapatra AK, Manna SK, Pramanik B, Maiti K, Mondal S, Ali SS, Mandal D. Colorimetric and ratiometric fluorescent chemodosimeter for selective sensing of fluoride and cyanide ions: Tuning selectivity in proton transfer and C-Si bond cleavage Rsc Advances. 5: 10716-10722. DOI: 10.1039/C4Ra12910E |
0.336 |
|
| 2015 |
Mandal D, Ramanan R, Usharani D, Janardanan D, Wang B, Shaik S. How does tunneling contribute to counterintuitive H-abstraction reactivity of nonheme Fe(IV)O oxidants with alkanes? Journal of the American Chemical Society. 137: 722-733. DOI: 10.1021/ja509465w |
0.727 |
|
| 2015 |
Kwon YH, Mai BK, Lee YM, Dhuri SN, Mandal D, Cho KB, Kim Y, Shaik S, Nam W. Determination of spin inversion probability, H-tunneling correction, and regioselectivity in the two-state reactivity of nonheme iron(IV)-oxo complexes Journal of Physical Chemistry Letters. 6: 1472-1476. DOI: 10.1021/acs.jpclett.5b00527 |
0.43 |
|
| 2014 |
Mahapatra AK, Maji R, Maiti K, Adhikari SS, Das Mukhopadhyay C, Mandal D. Ratiometric sensing of fluoride and acetate anions based on a BODIPY-azaindole platform and its application to living cell imaging. The Analyst. 139: 309-17. PMID 24255921 DOI: 10.1039/C3An01663C |
0.312 |
|
| 2014 |
Mahapatra AK, Mondal S, Maiti K, Manna SK, Maji R, Mandal D, Mandal S, Goswami S, Quah CK, Fun HK. A pyrene thiazole conjugate as a ratiometric chemosensor with high selectivity and sensitivity for tin (Sn4+) and its application in imaging live cells Rsc Advances. 4: 56605-56614. DOI: 10.1039/C4Ra10540K |
0.326 |
|
| 2014 |
Mahapatra AK, Manna SK, Mukhopadhyay CD, Mandal D. Pyrophosphate-selective fluorescent chemosensor based on ratiometric tripodal-Zn(II) complex: Application in logic gates and living cells Sensors and Actuators, B: Chemical. 200: 123-131. DOI: 10.1016/J.Snb.2014.04.034 |
0.318 |
|
| 2013 |
Mahapatra AK, Manna SK, Mandal D, Das Mukhopadhyay C. Highly sensitive and selective rhodamine-based "off-on" reversible chemosensor for tin (Sn4+) and imaging in living cells. Inorganic Chemistry. 52: 10825-34. PMID 24067170 DOI: 10.1021/Ic4007026 |
0.331 |
|
| 2013 |
Mandal D, Sahu C, Bagchi S, Das AK. Kinetics and mechanism of the tropospheric oxidation of vinyl acetate initiated by OH radical: a theoretical study. The Journal of Physical Chemistry. A. 117: 3739-50. PMID 23586638 DOI: 10.1021/Jp3126736 |
0.46 |
|
| 2013 |
Bagchi S, Mandal D, Ghosh D, Das AK. Interaction between group IIb divalent transition-metal cations and 3-mercaptopropionic acid: a computational and topological perspective. The Journal of Physical Chemistry. A. 117: 1601-13. PMID 23330972 DOI: 10.1021/Jp309792V |
0.312 |
|
| 2012 |
Mandal D, Sen K, Das AK. Aminolysis of a model nerve agent: a computational reaction mechanism study of O,S-dimethyl methylphosphonothiolate. The Journal of Physical Chemistry. A. 116: 8382-96. PMID 22830557 DOI: 10.1021/Jp305994G |
0.447 |
|
| 2012 |
Mandal D, Mondal B, Das AK. Nucleophilic degradation of fenitrothion insecticide and performance of nucleophiles: a computational study. The Journal of Physical Chemistry. A. 116: 2536-46. PMID 22339374 DOI: 10.1021/Jp2100057 |
0.412 |
|
| 2012 |
Mandal D, Bagchi S, Das AK. Mechanism and kinetics for the reaction of O( 3P) with DMSO: A theoretical study Chemical Physics Letters. 551: 31-37. DOI: 10.1016/J.Cplett.2012.09.002 |
0.423 |
|
| 2012 |
Bagchi S, Mandal D, Ghosh D, Das AK. Density functional theory study of interaction, bonding and affinity of group IIb transition metal cations with nucleic acid bases Chemical Physics. 400: 108-117. DOI: 10.1016/J.Chemphys.2012.03.003 |
0.319 |
|
| 2011 |
Mondal B, Mandal D, Das AK. Pyrolysis of tert-butyl tert-butanethiosulfinate, t-BuS(O)St-Bu: a computational perspective of the decomposition pathways. The Journal of Physical Chemistry. A. 115: 3068-78. PMID 21417300 DOI: 10.1021/Jp109725W |
0.302 |
|
| 2011 |
Mandal D, Mondal B, Das AK. The association reaction between C2H and 1-butyne: a computational chemical kinetics study. Physical Chemistry Chemical Physics : Pccp. 13: 4583-95. PMID 21279199 DOI: 10.1039/C0Cp02368J |
0.396 |
|
| 2010 |
Mandal D, Mondal B, Das AK. Isomerization and decomposition of a model nerve agent: a computational analysis of the reaction energetics and kinetics of dimethyl ethylphosphonate. The Journal of Physical Chemistry. A. 114: 10717-25. PMID 20831234 DOI: 10.1021/Jp106270D |
0.32 |
|
| 2010 |
Mondal B, Mandal D, Ghosh D, Das AK. Computational study on the growth of gallium nitride and a possible source of oxygen impurity. The Journal of Physical Chemistry. A. 114: 5016-25. PMID 20329764 DOI: 10.1021/Jp100332T |
0.361 |
|
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