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The Journal of Physical Chemistry. B|May 28, 2026
Theoretical Insights into Energetics and Structural Modulation of Dipeptides through Ionic Liquid [EMIM][TFSI] InteractionsPratheeksha DilipKumar, Tanay Debnath
Physical Chemistry Chemical Physics : PCCP|February 14, 2024
Investigation of the stability of D5SIC-DNAM-incorporated DNA duplex in Taq polymerase binary system: a systematic classical MD approachTanay Debnath, G Andrés Cisneros
Physical Chemistry Chemical Physics : PCCP|February 14, 2024
Investigation of dynamical flexibility of D5SIC-DNAM inside DNA duplex in aqueous solution: a systematic classical MD approachTanay Debnath, G Andrés Cisneros
Chemistry (Weinheim an Der Bergstrasse, Germany)|March 13, 2024
Superalkalis with Hydrogen as Central Electronegative Atom and their Possible Applications: Ab Initio and DFT StudySubhendu Sarkar, Tanay Debnath, Abhijit K Das
Physical Chemistry Chemical Physics : PCCP|February 1, 2022
Dehydrogenation of ammonia-borane to functionalize neutral and Li+-encapsulated C60, C70 and C36 fullerene cages: a DFT approachAvik Ghosh, Soumadip Banerjee, Tanay Debnath, et al.
Chemical Research in Toxicology|April 14, 2017
Mechanistic Insight into the Molecular TiO2-Mediated Gas Phase Detoxication of DMMP: A Theoretical ApproachTamalika Ash, Tanay Debnath, Avik Ghosh, et al.
Journal of Molecular Graphics & Modelling|August 14, 2022
Dual modification to stabilize Non-IPR C72 fullerene: A new theoretical strategySoumadip Banerjee, Tamalika Ash, Tanay Debnath, et al.
Journal of Molecular Modeling|September 23, 2018
Towards a comprehensive understanding of the Si(100)-2×1 surface termination through hydrogen passivation using methylamine and methanol: a theoretical approachTanay Debnath, Tamalika Ash, Subhendu Sarkar, et al.
Journal of Molecular Modeling|June 26, 2017
Identification and characterization of intramolecular γ-halo interaction in d0 complexes: a theoretical approachTanay Debnath, Tamalika Ash, Subhendu Sarkar, et al.
The Journal of Physical Chemistry. B|March 23, 2016
Exploration of Binding Interactions of Cu(2+) with d-Penicillamine and its O- and Se- Analogues in Both Gas and Aqueous Phases: A Theoretical ApproachTamalika Ash, Tanay Debnath, Tahamida Banu, et al.
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