Calculation of vibrational energy of molecule using coupled cluster linear response theory in bosonic representation: Convergence studies S Banik, S Pal, MD Prasad The Journal of chemical physics 129 (13), 2008 | 68 | 2008 |
Solution-processable phenothiazine and phenoxazine substituted fluorene cored nanotextured hole transporting materials for achieving high-efficiency OLEDs MR Nagar, A Choudhury, D Tavgeniene, R Beresneviciute, D Blazevicius, ... Journal of Materials Chemistry C 10 (9), 3593-3608, 2022 | 27 | 2022 |
Vibrational multi-reference coupled cluster theory in bosonic representation S Banik, S Pal, MD Prasad The Journal of Chemical Physics 137 (11), 2012 | 25 | 2012 |
Direct Access to 9-Chloro-1H-benzo[b]furo[3,4-e]azepin-1-ones via Palladium(II)-Catalyzed Intramolecular syn-Oxypalladation/Olefin Insertion/sp2-C–H Bond … M Karuppasamy, BS Vachan, P Vinoth, I Muthukrishnan, S Nagarajan, ... Organic letters 21 (15), 5784-5788, 2019 | 23 | 2019 |
Anharmonicity in the Vibrational Spectra of Naphthalene and Naphthalene-d8: Experiment and Theory S Chakraborty, S Banik, PK Das The Journal of Physical Chemistry A 120 (49), 9707-9718, 2016 | 19 | 2016 |
Calculation of dipole transition matrix elements and expectation values by vibrational coupled cluster method S Banik, S Pal, MD Prasad Journal of Chemical Theory and Computation 6 (10), 3198-3204, 2010 | 19 | 2010 |
Through positional isomerism: impact of molecular composition on enhanced triplet harvest for solution-processed OLED efficiency improvement D Thakur, MR Nagar, A Tomar, DK Dubey, S Kumar, SS Swayamprabha, ... ACS Applied Electronic Materials 3 (5), 2317-2332, 2021 | 17 | 2021 |
Performance of different density functionals for the calculation of vibrational frequencies with vibrational coupled cluster method in bosonic representation L Ravichandran, S Banik Theoretical Chemistry Accounts 137 (1), 1, 2018 | 16 | 2018 |
Functional pyrene–pyridine-integrated hole-transporting materials for solution-processed OLEDs with reduced efficiency roll-off K Kumar, KK Kesavan, D Thakur, S Banik, J Jayakumar, CH Cheng, ... ACS omega 6 (16), 10515-10526, 2021 | 14 | 2021 |
An analysis of structural, spectroscopic signatures, reactivity and anti-bacterial study of synthetized 4-chloro-3-sulfamoylbenzoic acid C Kavitha, K Narendra, A Ratnakar, N Poojith, C Sampath, S Banik, ... Journal of Molecular Structure 1202, 127176, 2020 | 11 | 2020 |
Decorated pyridine as hole transporting material (HTM) for solution-processed OLEDs K Kumar, KK Kesavan, S Kumar, S Banik, J Jayakumar, LY Hong, ... Journal of Photochemistry and Photobiology A: Chemistry 437, 114380, 2023 | 10 | 2023 |
Solution-processed hybrid hosts: a way to explore high triplet energy with admirable current and power efficiency without outcoupling techniques for phosphorescent OLEDs D Thakur, DK Dubey, RAK Yadav, M Venkateswarulu, S Banik, JH Jou, ... Journal of Materials Chemistry C 8 (1), 228-239, 2020 | 10 | 2020 |
On the choice electronic structure method to calculate the quartic potential energy surface for the vibrational calculation of polyatomic molecules S Banik Theoretical Chemistry Accounts 135, 1-12, 2016 | 9 | 2016 |
Anomalous description of the anharmonicity of bending motions of carbon–carbon double bonded molecules with the MP2 method: ethylene as a case study L Ravichandran, S Banik Physical Chemistry Chemical Physics 20 (43), 27329-27341, 2018 | 8 | 2018 |
Iterative universal state selective correction for the Brillouin-Wigner multireference coupled-cluster theory S Banik, L Ravichandran, J Brabec, I Hubač, K Kowalski, J Pittner The Journal of Chemical Physics 142 (11), 2015 | 8 | 2015 |
Rationally heteroarylated pyridines as hole transport materials for OLEDs K Kumar, A Karmakar, FR Chen, JH Jou, S Ghosh, S Banik, S Kumar Physical Chemistry Chemical Physics 25 (29), 19648-19659, 2023 | 7 | 2023 |
Solution processable carbazole-benzophenone derivatives as bipolar hosts enabling high-efficiency stable green TADF organic LEDs MR Nagar, K Kumar, D Blazevicius, R Beresneviciute, G Krucaite, ... Journal of Materials Chemistry C 11 (4), 1579-1592, 2023 | 7 | 2023 |
Perturbative universal state-selective correction for state-specific multi-reference coupled cluster methods J Brabec, S Banik, K Kowalski, J Pittner The Journal of Chemical Physics 145 (16), 2016 | 6 | 2016 |
On the spectral intensities of vibrational transitions in polyatomic molecules: role of electrical and mechanical anharmonicities S Banik, M Durga Prasad Theoretical Chemistry Accounts 131, 1-6, 2012 | 6 | 2012 |
Investigation of the Failure of the MP2 Method to Describe the Out-of-Plane Bending Motions of Carbon–Carbon Double-Bonded Molecules: The Role of Atomic Orbitals L Ravichandran, S Banik The Journal of Physical Chemistry A 125 (42), 9298-9317, 2021 | 5 | 2021 |