| Designing UiO-66-based superprotonic conductor with the highest metal–organic framework based proton conductivity S Mukhopadhyay, J Debgupta, C Singh, R Sarkar, O Basu, SK Das ACS applied materials & interfaces 11 (14), 13423-13432, 2019 | 165 | 2019 |
| Benchmarking TD-DFT and Wave Function Methods for Oscillator Strengths and Excited-State Dipole Moments R Sarkar, M Boggio-Pasqua, PF Loos, D Jacquemin J. Chem. Theory Comput. 17, 1117-1132, 2021 | 106 | 2021 |
| Assessing the Performances of CASPT2 and NEVPT2 for Vertical Excitation Energies DJ Rudraditya Sarkar, Pierre-François Loos, Martial Boggio-Pasqua J. Chem. Theory Comput. 18 (4), 2418-2436, 2022 | 50 | 2022 |
| Enhancing frustrated double ionization with no electronic correlation in triatomic molecules using counter-rotating two-color circular laser fields GP Katsoulis, R Sarkar, A Emmanouilidou Physical Review A 101 (3), 033403, 2020 | 19 | 2020 |
| Structure–property correlation of bicyclohexane nematic liquid crystals DV Sai, KP Zuhail, R Sarkar, S Dhara Liquid Crystals 42 (3), 328-333, 2015 | 16 | 2015 |
| Synthesis, characterization and unravelling the molecular interaction of new bioactive 4-hydroxycoumarin derivative with biopolymer: Insights from spectroscopic and theoretical … A Mukherjee, S Ghosh, R Sarkar, S Samanta, S Ghosh, M Pal, A Majee, ... Journal of Photochemistry and Photobiology B: Biology 189, 124-137, 2018 | 15 | 2018 |
| Electronic Excited States and UV–Vis Absorption Spectra of the Dihydropyrene/Cyclophanediene Photochromic Couple: a Theoretical Investigation R Sarkar, MC Heitz, G Royal, M Boggio-Pasqua The Journal of Physical Chemistry A 124 (8), 1567-1579, 2020 | 14 | 2020 |
| Theoretical study of photodetachment spectroscopy of hydrogenated boron cluster anion H2B7− and its deuterated isotopomer R Sarkar, S Mahapatra The Journal of Chemical Physics 147 (19), 2017 | 14 | 2017 |
| Photodetachment spectroscopy of carbon doped anionic boron cluster, CB9-: A theoretical study R Sarkar, D Baishya, S Mahapatra Chemical Physics 515, 679-691, 2018 | 13 | 2018 |
| Vibronic Dynamics of Electronic Ground State of CH2F2+ and Its Deuterated Isotopomer R Sarkar, S Mahapatra The Journal of Physical Chemistry A 120 (20), 3504-3517, 2016 | 12 | 2016 |
| Functional molecular system of bis (pyrazolyl) pyridine derivatives: photophysics, spectroscopy, computation, and ion sensing IK Naik, R Bodapati, R Sarkar, N Mondal, SK Das ACS omega 3 (3), 3022-3035, 2018 | 11 | 2018 |
| On the Jahn–Teller effect in the X∼ 2E electronic ground state of CH3F+ R Sarkar, SR Reddy, S Mahapatra, H Köppel Chemical Physics 482, 39-51, 2017 | 11 | 2017 |
| Rationalization of photo-detachment spectra of the indenyl anion (C 9 H 7−) from the perspective of vibronic coupling theory A Kumar, S Agrawal, TR Rao, R Sarkar Physical Chemistry Chemical Physics 21 (40), 22359-22376, 2019 | 10 | 2019 |
| Theoretical Rationalization of the Dual Photophysical Behavior of C60+ J Soler, R Sarkar, M Boggio-Pasqua The Journal of Physical Chemistry A 123 (9), 1824-1829, 2019 | 9 | 2019 |
| An unbiased confirmation of the participating isomers of C 2 B 5− in the formation of its photo-detachment spectra: a theoretical study A Kumar, TR Rao, R Sarkar Physical Chemistry Chemical Physics 23 (4), 3160-3175, 2021 | 5 | 2021 |
| Vibronic coupling in the first four electronic states of CH2F+ 2 R Sarkar, S Mahapatra Molecular Physics 113 (19-20), 3073-3084, 2015 | 5 | 2015 |
| Bis(quinoxaline‐dithiolato)nickel(III) Complexes [Bu4N][NiIII(6,7‐qdt)2] and [Ph4P][NiIII(Ph26,7‐qdt)2]·CHCl3 (6,7‐qdt = Quinoxaline‐6,7‐dithiolate; Ph26 … IK Naik, R Sarkar, SK Das European Journal of Inorganic Chemistry 2015 (33), 5523-5533, 2015 | 4 | 2015 |
| Dihydropyrene/Cyclophanediene Photoswitching Mechanism Revisited with Spin-Flip Time-Dependent Density Functional Theory: Nature of the Photoisomerization Funnel at Stake! MBP Elise Lognon, Rudraditya Sarkar, Marie-Catherine Heitz J. Phys. Chem. A., 2023 | 3 | 2023 |
| Absorption band structure of the photochromic dimethyldihydropyrene/metacyclophanediene couple. Insight from vibronic coupling theory R Sarkar, MC Heitz, M Boggio-Pasqua The Journal of Chemical Physics, 2022 | 3 | 2022 |
| Understanding of the Photodetachment Spectrum of Anionic Mixed Carbon−Boron Cluster C3B5− Following Adiabatic and Nonadiabatic Quantum Chemistry Approaches TRR Abhishek Kumar, Korutla Srikanth, Kanchan Sarkar, Rudraditya Sarkar* J. Phys. Chem. A, 2022 | 2 | 2022 |
Denis JacqueminProf. University of NantesVerified email at univ-nantes.fr
