Padmabati Mondal
Padmabati Mondal
Assistant Professor, Indian Institute of Science Education and Research (IISER) Tirupati, India
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Reversible Photoswitching of RNA Hybridization at Room Temperature with an Azobenzene C‐Nucleoside
T Goldau, K Murayama, C Brieke, S Steinwand, P Mondal, M Biswas, ...
Chemistry–A European Journal 21 (7), 2845-2854, 2015
Jahn-Teller and spin-orbit coupling effects in transition-metal trifluorides
P Mondal
mediaTUM, Technical Universität München, 2012
Jahn–Teller and spin–orbit coupling effects in transition-metal trifluorides
P Mondal, D Opalka, LV Poluyanov, W Domcke
Chemical Physics 387 (1-3), 56-65, 2011
Ab initio study of dynamical E× e Jahn-Teller and spin-orbit coupling effects in the transition-metal trifluorides TiF3, CrF3, and NiF3
P Mondal, D Opalka, LV Poluyanov, W Domcke
The Journal of Chemical Physics 136 (8), 2012
A quantum-classical approach to the molecular dynamics of butatriene cation with a realistic model Hamiltonian
S Sardar, AK Paul, P Mondal, B Sarkar, S Adhikari
Physical Chemistry Chemical Physics 10 (42), 6388-6398, 2008
Non-conventional force fields for applications in spectroscopy and chemical reaction dynamics
D Koner, SM Salehi, P Mondal, M Meuwly
The Journal of Chemical Physics 153 (1), 2020
Azobenzene as a photoregulator covalently attached to RNA: a quantum mechanics/molecular mechanics-surface hopping dynamics study
P Mondal, G Granucci, D Rastädter, M Persico, I Burghardt
Chemical science 9 (20), 4671-4681, 2018
Impact of the redox state of flavin chromophores on the UV–vis spectra, redox and acidity constants and electron affinities
P Mondal, K Schwinn, M Huix-Rotllant
Journal of Photochemistry and Photobiology A: Chemistry 387, 112164, 2020
Theoretical insights into the formation and stability of radical oxygen species in cryptochromes
P Mondal, M Huix-Rotllant
Physical Chemistry Chemical Physics 21 (17), 8874-8882, 2019
Vibrational Stark spectroscopy for assessing ligand-binding strengths in a protein
P Mondal, M Meuwly
Physical Chemistry Chemical Physics 19 (24), 16131-16143, 2017
In search of an efficient Photoswitch for functional RNA: design principles from a microscopic analysis of Azobenzene-linker-RNA dynamics with different linkers
P Mondal, M Biswas, T Goldau, A Heckel, I Burghardt
The Journal of Physical Chemistry B 119 (34), 11275-11286, 2015
Effect of Surface Modes on the Six-Dimensional Molecule–Surface Scattering Dynamics of H2–Cu(100) and D2–Cu(111) Systems
T Sahoo, S Sardar, P Mondal, B Sarkar, S Adhikari
The Journal of Physical Chemistry A 115 (21), 5256-5273, 2011
Free energy simulations for protein ligand binding and stability
K El Hage, P Mondal, M Meuwly
Molecular Simulation 44 (13-14), 1044-1061, 2018
Multipolar Force Fields for Amide-I Spectroscopy from Conformational Dynamics of the Alanine Trimer
P Mondal, PA Cazade, AK Das, T Bereau, M Meuwly
J. Phys. Chem. B 125, 10928-10938, 2021
Highly Efficient Synthesis of Hindered 3-Azoindoles via Metal-Free C–H Functionalization of Indoles
N Jacob, L Guillemard, C Brieke, F Rohrbach, A Gottschalk, G Mayer, ...
Synthesis 52 (04), 574-580, 2020
Infrared Absorption Spectra of Jahn–Teller Systems: Application to the Transition-Metal Trifluorides MnF3 and NiF3
P Mondal, W Domcke
The Journal of Physical Chemistry A 118 (21), 3726-3734, 2014
Strong Dopant–Dopant Electronic Coupling in Emissive Codoped Two Dimensional Metal Halide Hybrid
A Kudlu, D Kumar Das, R Bakthavatsalam, J Sam, S Ray, P Mondal, ...
The Journal of Physical Chemistry Letters 14, 4933-4940, 2023
Why intermolecular nitric oxide (NO) transfer? Exploring the factors and mechanistic aspects of NO transfer reaction
S Das, S Ray, T Devi, S Ghosh, SS Harmalkar, SN Dhuri, P Mondal, ...
Chemical Science 13 (6), 1706-1714, 2022
Solvent composition drives the rebinding kinetics of nitric oxide to microperoxidase
P Mondal, M Meuwly
Scientific reports 8 (1), 5281, 2018
Electronic substitution effect on the ground and excited state properties of indole chromophore: A computational study
S Ray, P Mondal
ChemPhysChem 24 (5), e202200541, 2023
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