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Dibyendu Mallick, Ph. D - Publications

Affiliations: 
Institute of Chemistry Hebrew University, Jerusalem, Jerusalem, Israel 
Area:
Computational Chemistry
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19 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
2020 Laconsay CJ, Mallick D, Shaik S. External Electric Fields Interrupt the Concerted Cope Rearrangement of Semibullvalene. The Journal of Organic Chemistry. PMID 33280381 DOI: 10.1021/acs.joc.0c02322  0.382
2020 Stuyver T, Ramanan R, Mallick D, Shaik S. Oriented (Local) Electric Fields Drive the Millionfold Enhancement of the H-Abstraction Catalysis Observed for Synthetic Metalloenzyme Analogues. Angewandte Chemie (International Ed. in English). PMID 32097514 DOI: 10.1002/Anie.201916592  0.682
2019 Stuyver T, Huang J, Mallick D, Danovich D, Shaik S. TITAN: A Code for Modeling and Generating Electric Fields-Features and Applications to Enzymatic Reactivity. Journal of Computational Chemistry. PMID 31568581 DOI: 10.1002/Jcc.26072  0.653
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  0.601
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  0.615
2017 Mallick D, Shaik S. Kinetic Isotope Effect Probes the Reactive-Spin State, as Well as the Geometric Feature and Constitution of the Transition State During H-Abstraction by Heme Compound II Complexes. Journal of the American Chemical Society. PMID 28737390 DOI: 10.1021/Jacs.7B04247  0.524
2016 Sharon DA, Mallick D, Wang B, Shaik S. Computation Sheds Insight into Iron Porphyrin Carbenes' Electronic Structure, Formation, and N-H Insertion Reactivity. Journal of the American Chemical Society. PMID 27347808 DOI: 10.1021/Jacs.6B04636  0.577
2016 Mallick D, Shaik S. Theory Revealing Unusual Non-Rebound Mechanisms Responsible for the Distinct Reactivities of O═MnIV═O and [HO–MnIV–OH]2+ in C–H Bond Activation Acs Catalysis. 6: 2877-2888. DOI: 10.1021/Acscatal.6B00085  0.504
2015 Saha S, Sen C, Roy S, Mallick D, López-Torres E, Sinha C. Structure and photochromism of Zn(II) thiocyanato complexes of 1-alkyl-2-{(o-thioalkyl)phenylazo}imidazole Polyhedron. 97: 240-247. DOI: 10.1016/j.poly.2015.05.031  0.426
2015 Mallick D, Jemmis ED. Structural variations in aromatic 2π-electron three-membered rings of the main group elements Journal of Chemical Sciences. 127: 183-196. DOI: 10.1007/S12039-015-0777-2  0.489
2013 Mallick D, Jemmis ED. Main Group Metal Clusters Comprehensive Inorganic Chemistry Ii (Second Edition): From Elements to Applications. 9: 833-867. DOI: 10.1016/B978-0-08-097774-4.00935-9  0.386
2012 Mukherjee R, Mondal S, Basak A, Mallick D, Jemmis ED. Reactivity of bispropargyl sulfones under basic conditions: Interplay between Garratt-Braverman and Schmittel/Myers-Saito cyclization pathway Chemistry - An Asian Journal. 7: 957-965. PMID 22407821 DOI: 10.1002/Asia.201100903  0.481
2012 Addy DA, Phillips N, Pierce GA, Vidovic D, Krämer T, Mallick D, Jemmis ED, Reid G, Aldridge S. (Dimethylamino)borylene and related complexes of electron-rich metal fragments: Generation of nucleophile-resistant cations by spontaneous halide ejection Organometallics. 31: 1092-1102. DOI: 10.1021/Om201144E  0.57
2011 Lahiri D, Majumdar R, Mallick D, Goswami TK, Dighe RR, Chakravarty AR. Remarkable photocytotoxicity in hypoxic HeLa cells by a dipyridophenazine copper(II) Schiff base thiolate. Journal of Inorganic Biochemistry. 105: 1086-94. PMID 21726772 DOI: 10.1016/J.Jinorgbio.2011.05.010  0.334
2011 Saha S, Mallick D, Majumdar R, Roy M, Dighe RR, Jemmis ED, Chakravarty AR. Structure-activity relationship of photocytotoxic iron(III) complexes of modified dipyridophenazine ligands. Inorganic Chemistry. 50: 2975-87. PMID 21391682 DOI: 10.1021/Ic1024229  0.545
2011 Maji M, Mallick D, Mondal S, Anoop A, Bag SS, Basak A, Jemmis ED. Selectivity in Garratt-Braverman cyclization: An experimental and computational study Organic Letters. 13: 888-891. PMID 21302895 DOI: 10.1021/Ol102861J  0.518
2010 Addy DA, Pierce GA, Vidovic D, Mallick D, Jemmis ED, Goicoechea JM, Aldridge S. Generation of cationic two-coordinate group-13 ligand systems by spontaneous halide ejection: remarkably nucleophile-resistant (dimethylamino)borylene complexes. Journal of the American Chemical Society. 132: 4586-8. PMID 20232864 DOI: 10.1021/Ja101192E  0.552
2009 Basak A, Das S, Mallick D, Jemmis ED. Which one is preferred: Myers-Saito cyclization of ene-yne-allene or Garratt-Braverman cyclization of conjugated bisallenic sulfone? A theoretical and experimental study Journal of the American Chemical Society. 131: 15695-15704. PMID 19824673 DOI: 10.1021/Ja9023644  0.496
2008 Mallick D, Parameswaran P, Jemmis ED. Structure and bonding in cyclic isomers of B2AlH(n)(m) (n = 3-6, m = -2 to +1): a comparative study with B3H(n)(m), BAl2H(n)(m) and Al3H(n)(m). The Journal of Physical Chemistry. A. 112: 13080-7. PMID 18939784 DOI: 10.1021/Jp803894T  0.5
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