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Physical Chemistry Chemical Physics : PCCP|December 17, 2025
Unveiling the HER potential of TM-substituted PdTe2 monolayers: a first-principles studyPoonam Parkar, Ajay Chaudhari, Brahmananda ChakrabortyJournal of Molecular Graphics & Modelling|July 27, 2025
Computational insights into Li cluster-based gas sensorsMohsen Doust Mohammadi, Poonam Parkar, Ajay ChaudhariThe Journal of Physical Chemistry. B|July 21, 2015
Sign Crossover in All Maxwell-Stefan Diffusivities for Molten Salt LiF-BeF2: A Molecular Dynamics StudyBrahmananda ChakrabortyPhysical Chemistry Chemical Physics : PCCP|June 5, 2023
2D BN-biphenylene: structure stability and properties tenability from a DFT perspectiveMukesh Singh, Brahmananda ChakrabortyJournal of Physics. Condensed Matter : an Institute of Physics Journal|June 29, 2016
Room temperature d (0) ferromagnetism in hole doped Y2O3: widening the choice of host to tailor DMSBrahmananda Chakraborty, Lavanya M RamaniahPhysical Chemistry Chemical Physics : PCCP|August 24, 2022
Prediction of a novel 2D porous boron nitride material with excellent electronic, optical and catalytic propertiesVikram Mahamiya, Alok Shukla, Brahmananda ChakrabortyJournal of Physics. Condensed Matter : an Institute of Physics Journal|April 14, 2012
Study on the electronic structure and hydrogen adsorption by transition metal decorated single wall carbon nanotubesP Modak, Brahmananda Chakraborty, S BanerjeePhysical Review. E, Statistical, Nonlinear, and Soft Matter Physics|June 18, 2013
Multicomponent diffusion in molten LiCl-KCl: dynamical correlations and divergent Maxwell-Stefan diffusivitiesBrahmananda Chakraborty, Jin Wang, Jacob EapenJournal of Physics. Condensed Matter : an Institute of Physics Journal|January 8, 2025
2D biphenylene: exciting properties, synthesis & applicationsVinod Kumar, Surender Pratap, Brahmananda ChakrabortyPhysical Chemistry Chemical Physics : PCCP|January 9, 2014
Absolute thermodynamic properties of molten salts using the two-phase thermodynamic (2PT) superpositioning methodJin Wang, Brahmananda Chakraborty, Jacob EapenPageof 10