| Year |
Citation |
Score |
| 2023 |
Kudlu A, Kumar Das D, Bakthavatsalam R, Sam J, Ray S, Mondal P, Dutta S, Hathwar VR, Pallepogu R, Kundu J. Strong Dopant-Dopant Electronic Coupling in Emissive Codoped Two Dimensional Metal Halide Hybrid. The Journal of Physical Chemistry Letters. 4933-4940. PMID 37212528 DOI: 10.1021/acs.jpclett.3c00902 |
0.685 |
|
| 2023 |
K G, Verma A, Mondal P, Mandal SS. Molecular Contacts in the Cren7-DNA Complex: A Quantitative Investigation for Electrostatic Interaction. Biophysical Journal. PMID 37016575 DOI: 10.1016/j.bpj.2023.03.041 |
0.709 |
|
| 2022 |
Ray S, Mondal P. Electronic Substitution Effect on the Ground and Excited State Properties of Indole Chromophore: A Computational Study. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. PMID 36334020 DOI: 10.1002/cphc.202200541 |
0.686 |
|
| 2022 |
Das S, Ray S, Devi T, Ghosh S, Harmalkar SS, Dhuri SN, Mondal P, Kumar P. Why intermolecular nitric oxide (NO) transfer? Exploring the factors and mechanistic aspects of NO transfer reaction. Chemical Science. 13: 1706-1714. PMID 35282634 DOI: 10.1039/d1sc06803b |
0.668 |
|
| 2021 |
Mondal P, Cazade PA, Das AK, Bereau T, Meuwly M. Multipolar Force Fields for Amide-I Spectroscopy from Conformational Dynamics of the Alanine Trimer. The Journal of Physical Chemistry. B. PMID 34559531 DOI: 10.1021/acs.jpcb.1c05423 |
0.726 |
|
| 2020 |
Koner D, Salehi SM, Mondal P, Meuwly M. Non-conventional force fields for applications in spectroscopy and chemical reaction dynamics. The Journal of Chemical Physics. 153: 010901. PMID 32640805 DOI: 10.1063/5.0009628 |
0.704 |
|
| 2020 |
Mondal P, Schwinn K, Huix-Rotllant M. Impact of the redox state of flavin chromophores on the UV–vis spectra, redox and acidity constants and electron affinities Journal of Photochemistry and Photobiology a-Chemistry. 387: 112164. DOI: 10.1016/J.Jphotochem.2019.112164 |
0.377 |
|
| 2019 |
Mondal P, Huix-Rotllant M. Theoretical insights into the formation and stability of radical oxygen species in cryptochromes. Physical Chemistry Chemical Physics : Pccp. PMID 30977757 DOI: 10.1039/C9Cp00782B |
0.336 |
|
| 2018 |
Mondal P, Granucci G, Rastädter D, Persico M, Burghardt I. Azobenzene as a photoregulator covalently attached to RNA: a quantum mechanics/molecular mechanics-surface hopping dynamics study. Chemical Science. 9: 4671-4681. PMID 29899961 DOI: 10.1039/C8Sc00072G |
0.304 |
|
| 2018 |
Mondal P, Meuwly M. Solvent Composition Drives the Rebinding Kinetics of Nitric Oxide to Microperoxidase. Scientific Reports. 8: 5281. PMID 29588445 DOI: 10.1038/S41598-018-22944-Z |
0.493 |
|
| 2018 |
El Hage K, Mondal P, Meuwly M. Free energy simulations for protein ligand binding and stability Molecular Simulation. 44: 1044-1061. DOI: 10.1080/08927022.2017.1416115 |
0.716 |
|
| 2017 |
Mondal P, Meuwly M. Vibrational Stark spectroscopy for assessing ligand-binding strengths in a protein. Physical Chemistry Chemical Physics : Pccp. PMID 28604854 DOI: 10.1039/C7Cp01892D |
0.531 |
|
| 2015 |
Mondal P, Biswas M, Goldau T, Heckel A, Burghardt I. In Search of an Efficient Photoswitch for Functional RNA: Design Principles from a Microscopic Analysis of Azobenzene-linker-RNA Dynamics with Different Linkers. The Journal of Physical Chemistry. B. 119: 11275-86. PMID 26125118 DOI: 10.1021/Acs.Jpcb.5B03118 |
0.561 |
|
| 2015 |
Goldau T, Murayama K, Brieke C, Steinwand S, Mondal P, Biswas M, Burghardt I, Wachtveitl J, Asanuma H, Heckel A. Reversible photoswitching of RNA hybridization at room temperature with an azobenzene C-nucleoside. Chemistry (Weinheim An Der Bergstrasse, Germany). 21: 2845-54. PMID 25537843 DOI: 10.1002/Chem.201405840 |
0.543 |
|
| 2014 |
Mondal P, Domcke W. Infrared Absorption Spectra of Jahn-Teller Systems: Application to the Transition-Metal Trifluorides MnF3 and NiF3. The Journal of Physical Chemistry. A. PMID 24785833 DOI: 10.1021/Jp4118002 |
0.551 |
|
| 2014 |
Mondal P, Domcke W. Infrared absorption spectra of jahn-teller systems: Application to the transition-metal trifluorides MnF3 and NiF3 Journal of Physical Chemistry A. 118: 3726-3734. DOI: 10.1021/jp4118002 |
0.404 |
|
| 2012 |
Mondal P, Opalka D, Poluyanov LV, Domcke W. Ab initio study of dynamical E × e Jahn-Teller and spin-orbit coupling effects in the transition-metal trifluorides TiF3, CrF3, and NiF3. The Journal of Chemical Physics. 136: 084308. PMID 22380043 DOI: 10.1063/1.3687001 |
0.557 |
|
| 2012 |
Mondal P, Opalka D, Poluyanov LV, Domcke W. Ab initio study of dynamical E × e Jahn-Teller and spin-orbit coupling effects in the transition-metal trifluorides TiF 3, CrF 3, and NiF 3 Journal of Chemical Physics. 136. DOI: 10.1063/1.3687001 |
0.437 |
|
| 2011 |
Sahoo T, Sardar S, Mondal P, Sarkar B, Adhikari S. Effect of surface modes on the six-dimensional molecule-surface scattering dynamics of H2-Cu(100) and D2-Cu(111) systems. The Journal of Physical Chemistry. A. 115: 5256-73. PMID 21545164 DOI: 10.1021/Jp201524X |
0.563 |
|
| 2011 |
Mondal P, Opalka D, Poluyanov LV, Domcke W. Jahn-Teller and spin-orbit coupling effects in transition-metal trifluorides Chemical Physics. 387: 56-65. DOI: 10.1016/J.Chemphys.2011.06.034 |
0.545 |
|
| 2008 |
Sardar S, Paul AK, Mondal P, Sarkar B, Adhikari S. A quantum-classical approach to the molecular dynamics of butatriene cation with a realistic model Hamiltonian. Physical Chemistry Chemical Physics : Pccp. 10: 6388-98. PMID 18972027 DOI: 10.1039/B805990J |
0.611 |
|
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