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5 results in Authors: Padmabati Mondal

Theoretical and Computational Chemistry

Azobenzene as a Photoregulator Covalently Attached to RNA: A Quantum Mechanics/Molecular Mechanics-Surface Hopping Dynamics Study

Padmabati Mondal, Giovanni Granucci, Dominique Rastädter, Maurizio Persico, Irene Burghardt

Version 1 posted 05 January 2018

803

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Theoretical and Computational Chemistry

Insights into Serotonin-Receptor Binding and Stability via Molecular Dynamics Simulations: Key Residues for Electrostatic Interactions and Signal Transduction

Arunima Verma, padmabati mondal

Version 1 posted 15 April 2024

109

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Theoretical and Computational Chemistry

Photodissociation Dynamics of Indole using Multi-Configuration Time-dependent Hartree Method

Soumyadip Ray, Sudip Sasmal, Padmabati Mondal

Version 1 posted 14 November 2024

42

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Theoretical and Computational Chemistry

A Computational Study on Light-Induced Spin Crossover in [Fe(Tp)(CN)3]-2 in Search of Potential Building Block for Single-Molecule Magnet

Soumyadip Ray, Suvadip Samanta, padmabati mondal

Version 1 posted 22 September 2023

187

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Theoretical and Computational Chemistry

Electronic substitution effect on the ground and excited state properties of indole chromophore: A computational study

Soumyadip Ray, Padmabati Mondal

Version 1 posted 11 July 2022

322

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