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Journal of Molecular Graphics & Modelling|August 26, 2021
Density functional theory-based analyses on selective gas separation by β-PVDF-supported ionic liquid membranesRanjini Sarkar, Tarun Kumar KunduJournal of Molecular Graphics & Modelling|March 18, 2020
Density functional theory based studies on the adsorption of rare-earth ions from hydrated nitrate salt solutions on g-C3N4 monolayer surfaceRanjini Sarkar, Sweta Kumari, Tarun Kumar KunduACS Applied Materials & Interfaces|June 30, 2026
Tuning Piezoelectricity and Pyroelectricity in Poly(vinylidene fluoride) through Ionic Liquid Anion-Size Directed Polymorph and Interface EngineeringUtsa Sarkar, Ranjini Sarkar, Parvathy Ravindranath, et al.Small (Weinheim an Der Bergstrasse, Germany)|April 8, 2024
Gd3+ Encapsulation on 2D-g-C3N4 Nanostructure for Spintronics and Ultrasound Assisted Photocatalytic Applications: First-Principles and Experimental StudiesSaikat Kumar Kuila, Deepak Kumar Gorai, Sandeep Agarwal, et al.Journal of Molecular Graphics & Modelling|May 7, 2023
Lithium and phosphorus-functionalized graphitic carbon nitride monolayer for efficient hydrogen storage: A DFT studyDeepak Kumar Gorai, Tarun Kumar KunduJournal of Molecular Modeling|April 27, 2019
Nonbonding interaction analyses on PVDF/[BMIM][BF4] complex system in gas and solution phaseRanjini Sarkar, T K KunduIscience|June 15, 2026
Recent advancement in prediction of thermoelectric performance in two-dimensional telluride monolayersAppu Kumar Singh, Sumit Kumar, Douglas S Galvão, et al.Small (Weinheim an Der Bergstrasse, Germany)|June 14, 2024
Enhanced Thermoelectric Performance of Nanostructured 2D Tin TellurideAppu Kumar Singh, Rajeev Karthik, Punathil Raman Sreeram, et al.Physical Chemistry Chemical Physics : PCCP|June 20, 2023
A comprehensive diffusion-induced stress coupled multiscale modeling and analysis in hard-carbon electrodes of Li-ion batteriesP Pavan Kumar, Asutosh Agrawal, Debasis Nayak, et al.Chemosphere|November 14, 2020
Lanthanum ions decorated 2-dimensional g-C3N4 for ciprofloxacin photodegradationSaikat Kumar Kuila, Deepak Kumar Gorai, Bramha Gupta, et al.Pageof 2