Publications by authors named "Tanay Debnath"

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Deciphering Allosteric Modulation of Cancer-Associated Histone Missense Mutations.
Shuxiang Li, Jie Shu, James C Rober, Austin Macklem, Daniel Espiritu, Tanay Debnath

J Mol Biol· October 2025

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Graphene Oxide Pre-Installed with a Covalent Adaptable Network Resulted in a "Nacre-Like" and "Self-Healable" Multi-Layered Interface in Carbon Fiber Laminates.
Samir Mandal, Ketaki Samanta, Tanay Debnath, Subodh Kumar, Suryasarathi Bose

Small Methods· July 2025

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Computational studies on the functional and structural impact of pathogenic mutations in enzymes.
Upeksha C Dissanayake, Arkanil Roy, Yazdan Maghsoud, Sarthi Polara, Tanay Debnath

Protein Sci· April 2025

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Superalkalis with Hydrogen as Central Electronegative Atom and their Possible Applications: Ab Initio and DFT Study.
Subhendu Sarkar, Tanay Debnath, Abhijit K Das

Chemistry· May 2024

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Rapid, high-capacity adsorption of iodine from aqueous environments with amide functionalized covalent organic frameworks.
Niyati Arora, Tanay Debnath, Milinda C Senarathna, Rebecca M Johnson, Isabella G Roske

Chem Sci· March 2024

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Investigation of the stability of D5SIC-DNAM-incorporated DNA duplex in polymerase binary system: a systematic classical MD approach.
Tanay Debnath, G Andrés Cisneros

Phys Chem Chem Phys· February 2024

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Investigation of dynamical flexibility of D5SIC-DNAM inside DNA duplex in aqueous solution: a systematic classical MD approach.
Tanay Debnath, G Andrés Cisneros

Phys Chem Chem Phys· February 2024

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Dual modification to stabilize Non-IPR C fullerene: A new theoretical strategy.
Soumadip Banerjee, Tamalika Ash, Tanay Debnath, Abhijit K Das

J Mol Graph Model· December 2022

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Dehydrogenation of ammonia-borane to functionalize neutral and Li-encapsulated C, C and C fullerene cages: a DFT approach.
Avik Ghosh, Soumadip Banerjee, Tanay Debnath, Abhijit K Das

Phys Chem Chem Phys· February 2022

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Theoretical study of gas-phase detoxication of DMMP and DMPT using ammonia-borane and its analogous compound.
Tamalika Ash, Tanay Debnath, Soumadip Banerjee, Avik Ghosh, Abhijit K Das

J Mol Graph Model· December 2021

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Exploration of M(100)-2×1 (M=Si, Ge) surface termination through hydrogen passivation using ethane and ammonia-borane derivatives: A theoretical approach.
Tanay Debnath, Tamalika Ash, Subhendu Sarkar, Avik Ghosh, Abhijit Kr Das

J Mol Graph Model· March 2019

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Towards a comprehensive understanding of the Si(100)-2×1 surface termination through hydrogen passivation using methylamine and methanol: a theoretical approach.
Tanay Debnath, Tamalika Ash, Subhendu Sarkar, Abhijit Kr Das

J Mol Model· September 2018

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Identification and characterization of intramolecular γ-halo interaction in d complexes: a theoretical approach.
Tanay Debnath, Tamalika Ash, Subhendu Sarkar, Abhijit K Das

J Mol Model· July 2017

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Mechanistic Insight into the Molecular TiO-Mediated Gas Phase Detoxication of DMMP: A Theoretical Approach.
Tamalika Ash, Tanay Debnath, Avik Ghosh, Abhijit Kumar Das

Chem Res Toxicol· May 2017

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Exploration of Unimolecular Gas-Phase Detoxication Pathways of Sarin and Soman: A Computational Study from the Perspective of Reaction Energetics and Kinetics.
Tamalika Ash, Tanay Debnath, Tahamida Banu, Abhijit Kumar Das

Chem Res Toxicol· September 2016

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Efficient White-Light Generation from Ionically Self-Assembled Triply-Fluorescent Organic Nanoparticles.
Susmita Das, Tanay Debnath, Amrita Basu, Deepanwita Ghosh, Abhijit Kumar Das

Chemistry· June 2016

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Exploration of Binding Interactions of Cu(2+) with d-Penicillamine and its O- and Se- Analogues in Both Gas and Aqueous Phases: A Theoretical Approach.
Tamalika Ash, Tanay Debnath, Tahamida Banu, Abhijit K Das

J Phys Chem B· April 2016

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Hydrolysis of ammonia borane and metal amidoboranes: A comparative study.
Tahamida Banu, Tanay Debnath, Tamalika Ash, Abhijit K Das

J Chem Phys· November 2015

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Comprehensive study of methylation on the silicon (100)-2 × 1 surface: a density functional approach.
Tanay Debnath, Kaushik Sen, Deepanwita Ghosh, Tahamida Banu, Abhijit K Das

J Phys Chem A· May 2015

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Towards a comprehensive understanding of the chemical vapor deposition of titanium nitride using Ti(NMe2)4: a density functional theory approach.
Kaushik Sen, Tahamida Banu, Tanay Debnath, Deepanwita Ghosh, Abhijit K Das

Dalton Trans· June 2014

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