| 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 | 73 | 2015 |
| Jahn-Teller and spin-orbit coupling effects in transition-metal trifluorides P Mondal mediaTUM, Technical Universität München, 2012 | 55 | 2012 |
| 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 | 42 | 2012 |
| 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 | 33 | 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 | 30 | 2018 |
| 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 | 30 | 2008 |
| 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 | 27 | 2019 |
| 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 | 25 | 2020 |
| 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 | 22 | 2015 |
| Vibrational Stark spectroscopy for assessing ligand-binding strengths in a protein P Mondal, M Meuwly Physical Chemistry Chemical Physics 19 (24), 16131-16143, 2017 | 21 | 2017 |
| Free energy simulations for protein ligand binding and stability K El Hage, P Mondal, M Meuwly Molecular Simulation 44 (13-14), 1044-1061, 2018 | 19 | 2018 |
| 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 | 19 | 2011 |
| 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 | 10 | 2021 |
| 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 | 10 | 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 (21), 4933-4940, 2023 | 8 | 2023 |
| In silico decryption of serotonin–receptor binding: local non-covalent interactions and long-range conformational changes P Mondal RSC advances 10 (62), 37995-38003, 2020 | 6 | 2020 |
| Solvent composition drives the rebinding kinetics of nitric oxide to microperoxidase P Mondal, M Meuwly Scientific reports 8 (1), 5281, 2018 | 5 | 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 | 4 | 2023 |
| Controlled destabilization of caged circularized DNA oligonucleotides predicted by replica exchange molecular dynamics simulations C Hamerla, P Mondal, R Hegger, I Burghardt Physical Chemistry Chemical Physics 25 (38), 26132-26144, 2023 | 3 | 2023 |
| High-resolution electronic and vibrational spectroscopy of small-to-medium sized molecules with ab initio potential energy surface S Ray, D Koner, P Mondal Electronic Structure 5 (1), 013001, 2023 | 2 | 2023 |
M MeuwlyUniversity of BaselVerified email at unibas.ch