2020 |
Journal |
Gorai, Deepak K; Kundu, TK; | First Principle Study of Na and P Co-Doped Heptazine Based Monolayer g-C3N4 | Materials Science Forum Vol. 978 No. Page 369-376 | Trans Tech Publications Ltd |
2020 |
Journal |
Sarkar, Ranjini; Kumari, Sweta; Kundu, Tarun Kumar; | Density functional theory based studies on the adsorption of rare-earth ions from hydrated nitrate salt solutions on g-C3N4 monolayer surface | Journal of Molecular Graphics and Modelling Vol. No. Page 107577 | Elsevier |
2020 |
Journal |
Kuila, Saikat Kumar; Sarkar, Ranjini; Kumbhakar, Partha; Kumbhakar, Pathik; Tiwary, Chandra Sekhar; Kundu, Tarun Kumar; | Photocatalytic dye degradation under sunlight irradiation using cerium ion adsorbed two-dimensional graphitic carbon nitride | Journal of Environmental Chemical Engineering Vol. No. Page 103942 | Elsevier |
2020 |
Journal |
Gorai, Deepak Kumar; Kundu, Tarun; | Influence of Pt and P doping on the performance of g-C3N4 monolayer | Materials and Manufacturing Processes Vol. 35 No. 6 Page 625-634 | Taylor & Francis |
2020 |
Journal |
Ranjini Sarkar, Tarun Kumar Kundu; | Hydrogen bond interactions of hydrated aluminum nitrate with PVDF , PVDF?TrFE, and PVDF?HFP : A density functional theory?based illustration | International Journal of Quantum Chemistry Vol. 120 No. 17 Page 43853 | Wiley Periodicals LLC |
2020 |
Journal |
Dora, Jay Krishan; Nayak, Debasis; Ghosh, Sudipto; Adyam, Venimadaav; Yedla, Natraj; Kundu, Tarun Kumar; | Facile and green synthesis approach to derive highly stable SiOx-Hard carbon based nanocomposites as anode for lithium-ion batteries | Sustainable Energy & Fuels Vol. No. Page | Royal Society of Chemistry |
2019 |
Journal |
Sarkar, Ranjini; Kundu, TK; | Nonbonding interaction analyses on PVDF/[BMIM][BF 4] complex system in gas and solution phase | Journal of molecular modeling Vol. 25 No. 5 Page 131 | Springer Berlin Heidelberg |
2019 |
Journal |
Kundu, TK; Pal, Snehanshu; | Natural Bond Orbital, Bond Order and Frequency based Study of Hydrogen Bond Formation in Different Glycols-Water Complex | Journal of Modern Chemistry & Chemical Technology Vol. 4 No. 1 Page 43850 | |
2019 |
Journal |
Pati, Anindita; Kundu, TK; Pal, Snehanshu; | Quantum chemical calculation based investigation of synergistic chelating between multiple hydroxyamide ligands and La3+ ion | Computational and Theoretical Chemistry Vol. 1170 No. Page 112643 | Elsevier |
2018 |
Journal |
Pati, Anindita; Kundu, TK; Pal, Snehanshu; | DFT Studies on Interaction between Lanthanum and Hydroxyamide | MS&E Vol. 338 No. 1 Page 12025 | |
2018 |
Journal |
Gorai, DK; Kundu, TK; | Density Functional Theory Study of Structural and Electronic Properties of ?'-Ni 3 Al and ?"-Ni 3 Nb | MS&E Vol. 338 No. 1 Page 12041 | |
2018 |
Journal |
Kuila, SK; Kundu, TK; | Adsorption Studies of Gadolinium ion on Graphitic Carbon Nitride | MS&E Vol. 338 No. 1 Page 12006 | |
2018 |
Journal |
Ranjini Sarkar, T K Kundu; | Density functional theory studies on PVDF/ionic liquid composite systems | Journal of Chemical Sciences Vol. 130 No. 115 Page 10.1007/s12039-018-1522-4 | Springer India |
2018 |
Journal |
Kundu, Tarun Kumar; Sarkar, Ranjini; | Effect of ionic liquid addition on PVDF–a density functional theory study | Vol. No. Page | |
2018 |
Journal |
Upadhyay, Hemant; Chandra, Deepesh; Kundu, Tarun Kumar; | Development and Application of Mathematical Models to Simulate Liquid Phase Accumulation, Drainage, and Heat Transfer in Blast Furnace Hearth | 2018-Sustainable Industrial Processing Summit Vol. 1 No. Page 151-164 | Flogen Star Outreach |
2017 |
Journal |
Misra, D; Kundu, TK; | Strain-Controlled Transport Mechanism in Strongly Correlated LaNiO 3 | Journal of Electronic Materials Vol. 46 No. 1 Page 150-157 | Springer US |
2017 |
Journal |
Misra, Debolina; Kundu, Tarun Kumar; | A DFT+ U study of the catalytic activity of lanthanum nickelate | The European Physical Journal B Vol. 90 No. 7 Page 135 | Springer Berlin Heidelberg |
2017 |
Journal |
Upadhyay, Hemant; Kundu, Tarun Kumar; | Simulation of Hot Metal Temperature Variation during Tapping of Blast Furnace | Vol. No. Page | |
2017 |
Journal |
Upadhyay, Hemant; Kundu, Tarun Kumar; | Drain Rate and Liquid Level Simulation in Blast Furnace Hearth | Vol. No. Page | |
2017 |
Journal |
UPADHYAY, HEMANT; KUNDU, DR TARUN KUMAR; | MATHEMATICAL MODEL TO SIMULATE LIQUID METAL & SLAG ACCUMULATION, DRAINAGE AND HEAT TRANSFER IN BLAST FURNACE HEARTH | Vol. No. Page | |
2016 |
Journal |
Cellular Automata Modeling of Decarburization of Metal Droplets in Basic Oxygen Steelmaking by Ankit, T. K. Kundu IOP Conf. Series: Materials Science and Engineering 115(1) - (2016) |
2016 |
Journal |
Effect of strain on the optical properties of LaNiO3: A first-principle study by D. Misra, T. K. Kundu Computational Materials Science 112 (A) 113-119 (2016) |
2016 |
Journal |
Misra, D; Kundu, TK; | Effect of strain on the optical properties of LaNiO3: A first-principle study | Computational Materials Science Vol. 112 No. Page 113-119 | Elsevier |
2016 |
Journal |
Debolina Misra, Tarun Kumar Kundu; | Oxygen vacancy induced metal-insulator transition in LaNiO3 | The European Physical Journal B Vol. 89 No. Page | EDP Sciences, Società Italiana di Fisica, Springer-Verlag |
2016 |
Journal |
Upadhyay, Hemant; Kundu, Tarun Kumar; | CFD analysis to estimate refractory erosion/scab formation on Blast Furnace hearth wall | Vol. No. Page | |
2016 |
Journal |
Kundu, Ankit and T. K.; | Cellular Automata Modeling of Decarburization of Metal Droplets in Basic Oxygen Steelmaking | IOP Conference Series: Materials Science and Engineering Vol. 115 No. Page 12001 | IOP Publishing |
2016 |
Journal |
D. Misra, T. K. Kundu and Ankit; | Effect of Strain on the Physical Properties of Lanthanum Nickelate | TMS 2016: 145 Annual Meeting & Exhibition: Supplemental Proceedings Vol. No. Page 247 | John Wiley & Sons, Inc. |
2016 |
Journal |
Tarun Kumar Kundu, Debolina Misra; | A first-principle study of the optical properties of pure and doped LaNiO3 | Advanced Materials Letters Vol. 7 No. 5 Page 344-348 | VBRI Press |
2016 |
Journal |
Misra, D; Kundu, TK; | Transport properties and metal–insulator transition in oxygen deficient LaNiO3: a density functional theory study | Materials Research Express Vol. 3 No. 9 Page 95701 | IOP Publishing |
2015 |
Journal |
Modeling of Dephosphorization using Bloated Droplet Theory in Basic Oxygen Steelmaking by Ankit, T. K. Kundu IOP Conf. Series: Materials Science and Engineering 75 - (2015) |
2015 |
Journal |
Pal, S; Kundu, TK; | Design of methane hydrate inhibitor molecule using Density Functional Theory | Journal of Cluster Science Vol. 26 No. 2 Page 551-563 | Springer US |
2015 |
Journal |
Pal, Snehanshu; Kundu, TK; | Theoretical study of methanol as inhibitor and cyclopentane as stabilizer of dodecahedron methane hydrate cage | IOP Conference Series: Materials Science and Engineering Vol. 73 No. 1 Page 12081 | IOP Publishing |
2015 |
Journal |
Ankit, T K Kundu; | Modeling of Dephosphorization using Bloated Droplet Theory in Basic Oxygen Steelmaking | IOP Conference Series: Materials Science and Engineering Vol. 75 No. 1 Page 12022 | IOP Publishing |
2015 |
Journal |
Chandra Kant Kaithwas, T. K. Kundu; | Development of High Capacity Na0.7(Ni0.4Mn0.4Co0.1Fe0.1)O2 Cathode Material for Sodium Ion Batteries | IOP Conference Series: Materials Science and Engineering Vol. 75 No. 1 Page 12008 | IOP Publishing |
2014 |
Journal |
S. Pal, T. K. Kundu; | The Effect of Methanol on 512 Methane Hydrate Cage Cluster – A Molecular Dynamics Study | Journal of Petroleum Engineering and Technology Vol. 4 No. 2 Page 16-24 | STM Journals |
2013 |
Journal |
Drain Rate and Liquid Level Simulation in Blast Furnace Hearth Using Plant Data by Hemant Upadhyay and T. K. Kundu ISRN Metallurgy Article ID 960210 - (2013) |
2013 |
Journal |
DFT-based inhibitor and promoter selection criteria for pentagonal dodecahedron methane hydrate cage by SNEHANSHU PAL, T K KUNDU Journal of Chemical Sciences 125(5) 1259-1266 (2013) |
2013 |
Journal |
Upadhyay, Hemant; Kundu, TK; | Drain rate and liquid level simulation in blast furnace hearth using plant data | International Scholarly Research Notices Vol. 2013 No. Page | Hindawi |
2013 |
Journal |
Pal, Snehanshu; Kundu, TK; | Pentagonal dodecahedron methane hydrate cage and methanol system—An ab initio study | Journal of Chemical Sciences Vol. 125 No. 2 Page 379 | Springer-Verlag |
2013 |
Journal |
Pal, Snehanshu; Kundu, TK; | Stability analysis and frontier orbital study of different glycol and water complex | International Scholarly Research Notices Vol. 2013 No. Page | Hindawi |
2013 |
Journal |
Pal, Snehanshu; Kundu, T. K.; | Natural Bond Orbital Analysis, Bond order and Frequency Calculation based study of hydrogen bond formation in different glycols and water complex | Journal of Modern Chemistry and Chemical Technology Vol. 4 No. 1 Page 43850 | STM Journals |
2013 |
Journal |
PAL, Snehanshu; Kundu, T. K.; | DFT-based inhibitor and promoter selection criteria for pentagonal dodecahedron methane hydrate cage | Journal of Chemical Sciences Vol. 125 No. 5 Page 1259-1266 | Indian Academy of Sciences, Springer |
2012 |
Journal |
Molecular Modeling of Mineral Surface Reactions in Flotation by K Hanumantha Rao, T. K. Kundu and S. C. Parker Molecular Modeling for the Design of Novel Performance Chemicals and Materials 65-105 (2012) |
2012 |
Journal |
Rao, K Hanumantha; Kundu, TK; Parker, SC; | Molecular Modeling of Mineral Surface Reactions in Flotation | Molecular Modeling for the Design of Novel Performance Chemicals and Materials Vol. No. Page 65-105 | Taylor and Francis(CRC Press) |
2012 |
Journal |
Pal, Snehanshu; Kundu, TK; | Theoretical study of hydrogen bond formation in trimethylene glycol-water complex | International Scholarly Research Notices Vol. 2012 No. Page | Hindawi |
2012 |
Journal |
Pal, Snehanshu; Kundu, Tarun Kumar; | Dodecahedron Methane Hydrate Cage Structure –An Ab initio Study | Journal of Petroleum Engineering & Technology Vol. 2 No. 1 Page | |
2012 |
Journal |
Kundu, TK; Pal, Snehanshu; | CFD MODELING OF FLUID FLOW BEHAVIOUR AND BATH SURFACE DEFORMATION IN LD CONVERTER | CFD Modeling and Simulation in Materials Processing Vol. No. Page 319-326 | John Wiley & Sons, Inc. Hoboken, NJ, USA |
2012 |
Journal |
Pal, Snehanshu; Kundu, T. K.; | Theoretical Prediction of Maximum Number of Methane Molecule Accommodation in Unit Cages of S-I Clathrate Structure | Journal of Petroleum Engineering and Technology Vol. 2 No. 2 Page 40-46 | STM Journals |
2012 |
Journal |
Pal, Snehanshu; Kundu, T. K.; | Methane encapsulation in 5_12 6_4 clathrate cage - a theoretical study | Journal of Petroleum Engineering and Technology Vol. 2 No. 3 Page 43838 | STM Journals |
2012 |
Journal |
Dash, Debasmita; Kumar, Shekhar; Mudali, U Kamachi; Oguike, RS; Kolo, AM; Gyenna, HA; Fathy, Nady A; El-Shafey, Ola I; Khalil, Laila B; Kalantar, Zahra; | International Scholarly Research Notices | Vol. No. Page | |
2006 |
Journal |
Atomistic simulation studies of magnetite surface structures and adsorption behavior in the presence of molecular and dissociated water and formic acid by Kundu, T. K., Rao, K. H. and Parker, S. C Journal of Colloid and Interface Science 295(2) - (2006) |
2006 |
Journal |
Kundu, TK; Rao, K Hanumantha; Parker, SC; | Atomistic simulation studies of magnetite surface structures and adsorption behavior in the presence of molecular and dissociated water and formic acid | Journal of colloid and interface science Vol. 295 No. 2 Page 364-373 | Elsevier |
2005 |
Journal |
Competitive adsorption on wollastonite: an atomistic simulation approach by Kundu, T. K., Rao, K. H. and Parker, S. C Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysica 109 (22) - (2005) |
2005 |
Journal |
Kundu, TK; Rao, K Hanumantha; Parker, SC; | Competitive adsorption on wollastonite: an atomistic simulation approach | The Journal of Physical Chemistry B Vol. 109 No. 22 Page 11286-11295 | American Chemical Society |
2005 |
Journal |
Rao, K Hanumantha; Kundu, Tarun; Parker, SC; Forssberg, Eric; | Molecular modelling of mineral surface structures and adsorption phenomena in flotation | Centenary of Flotation Symposium: 06/06/2005-09/06/2005 Vol. No. Page 557-572 | The Australian Institute of Mining and Metallurgy |
2003 |
Journal |
Atomistic simulation of the surface structure of wollastonite by Kundu, T. K, Rao, K. H. and Parker, S.C Chemical Physics Letters 377(1-2) - (2003) |
2003 |
Journal |
Atomistic simulation studies of surface structure of hematite and magnetite crystals and adsorption behaviour of water by Kundu, T. K, Rao, K. H. and Parker, S.C International Seminar on Mineral Processing Technology 190-197 (2003) |
2003 |
Journal |
Kundu, TK; Rao, K Hanumantha; Parker, SC; | Atomistic simulation of the surface structure of wollastonite | Chemical physics letters Vol. 377 No. 43832 Page 81-92 | North-Holland |
2003 |
Journal |
Kundu, TK; Rao, K Hanumantha; Parker, SC; | Atomistic simulation of the surface structure of wollastonite and adsorption phenomena relevant to flotation | International Journal of Mineral Processing Vol. 72 No. 43834 Page 111-127 | Elsevier |
2003 |
Journal |
Kundu, Tarun; Rao, K Hanumantha; SC, Parker; | Atomistic simulation studies of surface structure of hematite and magnetite crystals and adsorption behaviour of water | International Seminar on Mineral Processing Technology: 06/02/2003-08/02/2003 Vol. No. Page 190-197 | Allied Publishers Ltd |
2003 |
Journal |
PAL, SNEHANSHU; KUNDU, TK; | Theoretical Study of Hydrogen Bond Formation in Chitosan and Pentagonal Dodecahedron Methane Hydrate Cage Structure | Chemical Science Transactions Vol. 2 No. 2 Page 447-454 | |
2002 |
Journal |
Kundu, Tarun; | Atomistic simulation techniques for modelling inorganic/organic interface and flotation collector design | Vol. No. Page | Luleå tekniska universitet |
2002 |
Journal |
Kundu, Tarun; Rao, K Hanumantha; SC, Parker; Forssberg, Eric; | Atomistic simulation techniques for designing mineral specific collector molecules in froth flotation | International Seminar on Mineral Processing Technology: 03/01/2002-05/01/2002 Vol. 1 No. Page 272-287 | Indian Institute of Science, Department of Mechanical Engineering |
2001 |
Journal |
Kundu, Tarun; Rao, K Hanumantha; Parker, SC; | Atomistic simulation techniques for modelling mineral surface reactions | Advances in the understanding of adsorption phenomena at solid/aqueous solution interfaces: 12/02/2001-15/02/2001 Vol. No. Page 67-72 | Tata Research Development & Design Centre (TRDDC) |