Rudraditya sarkar
Rudraditya sarkar
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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
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
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
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
Structure–property correlation of bicyclohexane nematic liquid crystals
DV Sai, KP Zuhail, R Sarkar, S Dhara
Liquid Crystals 42 (3), 328-333, 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
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
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
Photodetachment spectroscopy of carbon doped anionic boron cluster, CB9-: A theoretical study
R Sarkar, D Baishya, S Mahapatra
Chemical Physics 515, 679-691, 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
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
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
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
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
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
Vibronic coupling in the first four electronic states of CH2F+ 2
R Sarkar, S Mahapatra
Molecular Physics 113 (19-20), 3073-3084, 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
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
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
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
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