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Paramita Haldar

Assistant Professor

Molecular Modeling

Publications

International Publications:

  1. K Paliwal, P Haldar, PKS Antharjanam, M Kumar, "Mixed Ligand Mononuclear Copper(II) Complex as a Promising Anticancer Agent: Interaction Studies with DNA/HSA, Molecular Docking, and in vitro Cytotoxicity Studies", ACS Omega, 7 (2022), 21961−21977, https://doi.org/10.1021/acsomega.2c02354.
  2. SU Parsekar, P Haldar, PKS Antharjanam, M Kumar, "Synthesis, Characterization, Crystal Structure, DNA and HSA Interactions, and Anticancer Activity of a Mononuclear Cu(II) Complex with a Schiff Base Ligand Containing a Thiadiazoline Moiety", ACS Omega, 7 (2022), 2881–2896, https://doi.org/10.1021/acsomega.1c05750.
  3. SU Parsekar, P Haldar, PKS Antharjanam, M Kumar, AP Koley, "Synthesis, characterization, crystal structure, DNA and human serum albumin interactions, as well as antiproliferative activity of a Cu(II) complex containing a Schiff base ligand formed in situ from the Cu(II)‐induced cyclization of 1,5‐bis(salicylidene)thiocarbohydrazide", Applied Organometallic Chemistry, 35 (2021), 4, https://doi.org/10.1002/aoc.6152.
  4. T Harshavardhan, A Gaikwad, P Haldar, "Titanium Atoms-Decorated B 40 Fullerene: First-Principle Study to Predict the Structural Evolution during Hydrogen Storage", Journal of The Institution of Engineers (India): Series E, 102 (2020), 1, https://doi.org/ s40034-020-00177-y.
  5. A Koley, S U Parsekar, P Haldar, A Banerjee, S P K Antharjanam and M Kumar, "Protein binding studies with human serum albumin, molecular docking and in vitro cytotoxicity studies using HeLa cervical carcinoma cells of Cu(II)/Zn(II) complexes containing carbohydrazone ligand", Dalton Transaction, 49 (2020), 9, https://doi.org/10.1039/C9DT04656A.
  6. P Haldar, A Chatterjee, “Extent Of Dissolution Determines The Structural Similarity Between Dealloyed Nanoporous Materials Synthesized At Unrelated Dissolution Conditions”, Acta Materialia, 152 (2018), 186-198, https://doi.org/10.1016/j.actamat.2018.04.020.
  7. P Haldar, A  Chatterjee,  “Connectivity-list  based  characterization  of  3D  nanoporous  structure  formed via selective dissolution: understanding role of starting geometry on dealloying”, Acta Materialia, 127 (2017), 379-388, https://doi.org/10.1016/j.actamat.2017.01.049.
  8. P Haldar, A Chatterjee, “Seeking kinetic pathways relevant to the structural evolution of metal nanoparticles”, Modelling Simul. Mater. Sci. Eng., 23 (2015), 025002, doi:10.1088/0965-0393/23/2/025002.
  9. P Haldar, A Chatterjee, “Nudged-Elastic Band Study of Lithium Diffusion in Bulk Silicon in the Presence of Strain”, Energy Procedia, 54 (2015), 310–319, doi: 10.1016/j.egypro.2014.07.274.

Conference Proceedings:

  1. H Thodupunoori, P Haldar"Effect of pseudopotentials on the electronic structures for hydrogen adsorption on Titanium (Ti) doped B40 Fullerene – A First principle study", Proceedings of VIIIth international conference on advances in energy research (2022).
  2. P Haldar, A Chatterjee, “Role of strain on lithium diffusion in silicon”, Proceedings of IVth international conference on advances in energy research (2013), 770-777.