Indrani Choudhuri, Postdoctoral associate - Publications

Affiliations: 
2013-2018 Chemistry IIT Indore 
 2018-2020 Chemistry University of Minnesota, Twin Cities, Minneapolis, MN 
 2020- Chemistry Temple University, Philadelphia, PA, United States 
Area:
Computational Chemistry, Chemical Physics, Materials, Photo-chemistry, Biophysical Chemistry, Bio-sequencing
Website:
https://ronlevygroup.cst.temple.edu/levygroup_research.html

35 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
2022 Choudhuri I, Biswas A, Haldane A, Levy RM. Contingency and Entrenchment of Drug-Resistance Mutations in HIV Viral Proteins. The Journal of Physical Chemistry. B. 126: 10622-10636. PMID 36493468 DOI: 10.1021/acs.jpcb.2c06123  0.408
2020 Choudhuri I, Truhlar DG. Calculating and Characterizing the Charge Distributions in Solids. Journal of Chemical Theory and Computation. PMID 32544328 DOI: 10.1021/Acs.Jctc.0C00440  0.428
2020 Choudhuri I, Truhlar DG. Improved Predictive Tools for Structural Properties of Metal-Organic Frameworks. Molecules (Basel, Switzerland). 25. PMID 32231071 DOI: 10.3390/Molecules25071552  0.423
2020 Choudhuri I, Truhlar DG. Photogenerated Charge Separation in a CdSe Nanocluster Encapsulated in a Metal–Organic Framework for Improved Photocatalysis The Journal of Physical Chemistry C. 124: 8504-8513. DOI: 10.1021/Acs.Jpcc.0C00007  0.378
2019 Choudhuri I, Truhlar DG. HLE17: An Efficient Way To Predict Band Gaps of Complex Materials The Journal of Physical Chemistry C. 123: 17416-17424. DOI: 10.1021/Acs.Jpcc.9B04683  0.412
2019 Choudhuri I, Bhauriyal P, Pathak B. Recent Advances in Graphene-like 2D Materials for Spintronics Applications Chemistry of Materials. 31: 8260-8285. DOI: 10.1021/Acs.Chemmater.9B02243  0.531
2019 Wu X, Choudhuri I, Truhlar DG. Computational Studies of Photocatalysis with Metal–Organic Frameworks Energy & Environmental Materials. 2: 251-263. DOI: 10.1002/eem2.12051  0.632
2018 Bhattacharyya G, Choudhuri I, Bhauriyal P, Garg P, Pathak B. Ferromagnetism in magnesium chloride monolayer with an unusually large spin-up gap. Nanoscale. PMID 30465686 DOI: 10.1039/C8Nr07429A  0.57
2018 Bhattacharyya G, Choudhuri I, Pathak B. High Curie temperature and half-metallicity in an atomically thin main group-based boron phosphide system: long range ferromagnetism. Physical Chemistry Chemical Physics : Pccp. PMID 30152516 DOI: 10.1039/C8Cp03440K  0.59
2017 Garg P, Choudhuri I, Pathak B. Stanene based gas sensors: effect of spin-orbit coupling. Physical Chemistry Chemical Physics : Pccp. PMID 29148549 DOI: 10.1039/C7Cp06133A  0.565
2017 Choudhuri I, Pathak B. Ferromagnetism and Half-Metallicity in a High Band Gap h-BN System. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. PMID 29028146 DOI: 10.1002/Cphc.201700759  0.583
2017 Choudhuri I, Pathak B. Ferromagnetism and Half-metallicity in Atomically Thin Holey Nitrogenated Graphene Based System. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. PMID 28665014 DOI: 10.1002/Cphc.201700633  0.588
2017 Rai HM, Singh P, Saxena SK, Mishra V, Warshi MK, Kumar R, Rajput P, Sagdeo A, Choudhuri I, Pathak B, Sagdeo PR. Room-Temperature Magneto-dielectric Effect in LaGa0.7Fe0.3O3+γ; Origin and Impact of Excess Oxygen. Inorganic Chemistry. PMID 28306265 DOI: 10.1021/Acs.Inorgchem.6B02507  0.683
2017 Garg P, Choudhuri I, Mahata A, Pathak B. Band gap opening in stanene induced by patterned B-N doping. Physical Chemistry Chemical Physics : Pccp. PMID 28094366 DOI: 10.1039/C6Cp07505C  0.573
2017 Bhattacharyya G, Mahata A, Choudhuri I, Pathak B. Semiconducting phase in borophene: role of defect and strain Journal of Physics D: Applied Physics. 50: 405103. DOI: 10.1088/1361-6463/Aa81B8  0.56
2017 Saha M, Malviya N, Das M, Choudhuri I, Mobin SM, Pathak B, Mukhopadhyay S. Effect on catecholase activity and interaction with biomolecules of metal complexes containing differently tuned 5-substituted ancillary tetrazolato ligands Polyhedron. 121: 155-171. DOI: 10.1016/J.Poly.2016.09.035  0.692
2016 Choudhuri I, Kumar S, Mahata A, Rawat KS, Pathak B. Transition-metal embedded carbon nitride monolayers: high-temperature ferromagnetism and half-metallicity. Nanoscale. PMID 27321785 DOI: 10.1039/C6Nr03282F  0.737
2016 Mahata A, Rawat KS, Choudhuri I, Pathak B. Octahedral Ni-nanocluster (Ni85) for Efficient and Selective Reduction of Nitric Oxide (NO) to Nitrogen (N2). Scientific Reports. 6: 25590. PMID 27157072 DOI: 10.1038/Srep25590  0.74
2016 Das M, Mandal P, Malviya N, Choudhuri I, Charmier MAJ, Morgado S, Mobin SM, Pathak B, Mukhopadhyay S. Copper complexes with a flexible piperazinyl arm: nuclearity driven catecholase activity and interactions with biomolecules Journal of Coordination Chemistry. 1-19. DOI: 10.1080/00958972.2016.1236193  0.669
2016 Choudhuri I, Bhattacharyya G, Kumar S, Pathak B. Metal-free half-metallicity in a high energy phase C-doped gh-C3N4 system: a high Curie temperature planar system Journal of Materials Chemistry C. 4: 11530-11539. DOI: 10.1039/C6Tc04163A  0.567
2016 Kumar S, Choudhuri I, Pathak B. An atomically thin ferromagnetic half-metallic pyrazine-fused Mn-porphyrin sheet: a slow spin relaxation system Journal of Materials Chemistry C. 4: 9069-9077. DOI: 10.1039/C6Tc03438A  0.551
2016 Choudhuri I, Garg P, Pathak B. TM@gt-C3N3 monolayers: High-temperature ferromagnetism and high anisotropy Journal of Materials Chemistry C. 4: 8253-8262. DOI: 10.1039/C6Tc03030K  0.597
2016 Mahata A, Rawat KS, Choudhuri I, Pathak B. Single-layered platinum nanocage: a highly selective and efficient catalyst for fuel cells Journal of Materials Chemistry A. 4: 12756-12767. DOI: 10.1039/C6Ta03245A  0.72
2016 Singh P, Choudhuri I, Rai HM, Mishra V, Kumar R, Pathak B, Sagdeo A, Sagdeo PR. Fe doped LaGaO3: good white light emitters Rsc Advances. 6: 100230-100238. DOI: 10.1039/C6Ra21693E  0.672
2016 Mahata A, Rawat KS, Choudhuri I, Pathak B. Cuboctahedral vs. octahedral platinum nanoclusters: insights into the shape-dependent catalytic activity for fuel cell applications Catalysis Science & Technology. 6: 7913-7923. DOI: 10.1039/C6Cy01709F  0.719
2016 Choudhuri I, Sadhukhan D, Garg P, Mahata A, Pathak B. Lewis Acid–Base Adducts for Improving the Selectivity and Sensitivity of Graphene Based Gas Sensors Acs Sensors. 1: 451-459. DOI: 10.1021/Acssensors.6B00031  0.557
2016 Rawat KS, Mahata A, Choudhuri I, Pathak B. Catalytic Hydrogenation of CO2 by Manganese Complexes: Role of π-Acceptor Ligands The Journal of Physical Chemistry C. 120: 16478-16488. DOI: 10.1021/Acs.Jpcc.6B05065  0.729
2016 Rawat KS, Mahata A, Choudhuri I, Pathak B. N-Heterocylic Carbene-Based Mn Electrocatalyst for Two-Electron CO2Reduction over Proton Reduction The Journal of Physical Chemistry C. 120: 8821-8831. DOI: 10.1021/Acs.Jpcc.6B02209  0.728
2016 Garg P, Kumar S, Choudhuri I, Mahata A, Pathak B. Hexagonal Planar CdS Monolayer Sheet for Visible Light Photocatalysis Journal of Physical Chemistry C. 120: 7052-7060. DOI: 10.1021/Acs.Jpcc.6B01622  0.539
2016 CHOUDHURI I, MAHATA A, RAWAT KS, PATHAK B. Role of Ti doping and Al and B vacancies in the dehydrogenation of Al(BH4)3 Journal of Chemical Sciences. 128: 1651-1662. DOI: 10.1007/S12039-016-1148-3  0.72
2015 Saha M, Das M, Nasani R, Choudhuri I, Yousufuddin M, Nayek HP, Shaikh MM, Pathak B, Mukhopadhyay S. Targeted water soluble copper-tetrazolate complexes: interactions with biomolecules and catecholase like activities. Dalton Transactions (Cambridge, England : 2003). PMID 26530012 DOI: 10.1039/C5Dt01471A  0.685
2015 Mahata A, Choudhuri I, Pathak B. A cuboctahedral platinum (Pt79) nanocluster enclosed by well defined facets favours di-sigma adsorption and improves the reaction kinetics for methanol fuel cells. Nanoscale. 7: 13438-51. PMID 26155948 DOI: 10.1039/C5Nr01575H  0.57
2015 Choudhuri I, Patra N, Mahata A, Ahuja R, Pathak B. B-N@Graphene: Highly Sensitive and Selective Gas Sensor Journal of Physical Chemistry C. 119: 24827-24836. DOI: 10.1021/Acs.Jpcc.5B07359  0.655
2014 Mahata A, Rai RK, Choudhuri I, Singh SK, Pathak B. Direct vs. indirect pathway for nitrobenzene reduction reaction on a Ni catalyst surface: a density functional study. Physical Chemistry Chemical Physics : Pccp. 16: 26365-74. PMID 25367892 DOI: 10.1039/C4Cp04355C  0.574
2014 Choudhuri I, Mahata A, Pathak B. Additives in protic–hydridic hydrogen storage compounds: a molecular study Rsc Adv.. 4: 52785-52795. DOI: 10.1039/C4Ra09778E  0.529
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