| Molecular engineering of triphenylamine based aggregation enhanced emissive fluorophore: structure-dependent mechanochromism and self-reversible fluorescence switching PS Hariharan, VK Prasad, S Nandi, A Anoop, D Moon, SP Anthony Crystal Growth & Design 17 (1), 146-155, 2016 | 79 | 2016 |
| A p‐Hydroxyphenacyl–Benzothiazole–Chlorambucil Conjugate as a Real‐Time‐Monitoring Drug‐Delivery System Assisted by Excited‐State Intramolecular Proton … S Barman, SK Mukhopadhyay, S Biswas, S Nandi, M Gangopadhyay, ... Angewandte Chemie International Edition 55 (13), 4194-4198, 2016 | 76 | 2016 |
| Prebiotic Chemistry of HCN Tetramerization by Automated Reaction Search S Nandi, D Bhattacharyya, A Anakuthil Chemistry-A European Journal, 2018 | 34 | 2018 |
| Alteration of Electronic Band Structure via a Metal–Semiconductor Interfacial Effect Enables High Faradaic Efficiency for Electrochemical Nitrogen Fixation A Biswas, S Nandi, N Kamboj, J Pan, A Bhowmik, RS Dey ACS nano, 2021 | 33 | 2021 |
| Theoretical insights into CO2 hydrogenation to methanol by a Mn–PNP complex C Mandal, Shyama, S Rawat, Kuber, S Nandi, B Pathak Catalysis Science & Technology, 2019 | 33 | 2019 |
| Chemical promenades: Exploring potential‐energy surfaces with immersive virtual reality M Martino, A Salvadori, F Lazzari, L Paoloni, S Nandi, G Mancini, ... Journal of Computational Chemistry 41 (13), 1310-1323, 2020 | 30 | 2020 |
| A tabu-search based strategy for modeling molecular aggregates and binary reactions S Nandi, SR McAnanama-Brereton, MP Waller, A Anoop Computational and Theoretical Chemistry 1111, 69-81, 2017 | 30 | 2017 |
| Pd-catalyzed intramolecular sequential Heck cyclization and oxidation reactions: a facile pathway for the synthesis of substituted cycloheptenone evaluated using computational … JK Ray, S Paul, P Ray, R Singha, DY Rao, S Nandi, A Anoop New Journal of Chemistry 41 (1), 278-284, 2017 | 25 | 2017 |
| A coordination-assisted general approach to nickel-based nano metallogels S Dey, D Datta, K Chakraborty, S Nandi, A Anoop, T Pathak RSC Advances 3 (24), 9163-9166, 2013 | 22 | 2013 |
| Bis‐Acetyl Carbazole: A Photoremovable Protecting Group for Sequential Release of Two Different Functional Groups and Its Application in Therapeutic Release Y Venkatesh, S Nandi, M Shee, B Saha, A Anoop, ND Pradeep Singh European Journal of Organic Chemistry 2017 (41), 6121-6130, 2017 | 17 | 2017 |
| ESIPT-induced fluorescent o-hydroxycinnamate: a self-monitoring phototrigger for prompt image-guided uncaging of alcohols A Paul, R Mengji, OA Chandy, S Nandi, M Bera, A Jana, A Anoop, ... Organic & biomolecular chemistry 15 (40), 8544-8552, 2017 | 15 | 2017 |
| Gas-Phase Formation and Isomerization Reactions of Cyanoacetaldehyde, a Prebiotic Molecule of Astrochemical Interest B Ballotta, S Nandi, V Barone, S Rampino ACS Earth and Space Chemistry 5, 1071-1082, 2021 | 12 | 2021 |
| Viability of aromatic all-pnictogen anions S Mandal, S Nandi, A Anoop, PK Chattaraj Physical Chemistry Chemical Physics 18 (17), 11738-11745, 2016 | 12 | 2016 |
| A Modern-Fortran Program for Chemical Kinetics on Top of Anharmonic Vibrational Calculations S Nandi, D Calderini, J Bloino, S Rampino, V Barone International Conference on Computational Science and Its Applications, 401-412, 2019 | 8 | 2019 |
| A General User-Friendly Tool for Kinetic Calculations of Multi-Step Reactions within the Virtual Multifrequency Spectrometer Project S Nandi, B Ballotta, S Rampino, V Barone Applied Sciences 10 (5), 1872, 2020 | 7 | 2020 |
| Syntheses and Room Temperature Phosphorescence Properties of Dibenzobenzodithiophenes and Dibenzothiophenes M Tsuboi, S Nakamura, S Nandi, P de Silva, Y Takeda, M Miura Bulletin of the Chemical Society of Japan, 2021 | 5 | 2021 |
| MultiXC-QM9: Large dataset of molecular and reaction energies from multi-level quantum chemical methods S Nandi, T Vegge, A Bhowmik Scientific Data 10 (1), 783, 2023 | 3 | 2023 |
| Reducing Training Data Needs with Minimal Multilevel Machine Learning (M3L) S Heinen, D Khan, GF von Rudorff, K Karandashev, DJA Arrieta, ... arXiv preprint arXiv:2308.11196, 2023 | 3 | 2023 |
| First principles investigation on the applicability of ruthenium as a potential ORR catalyst S Nandi, AS Nair, B Pathak Journal of Chemical Sciences 132 (1), 1-9, 2020 | 3 | 2020 |
| Cheap turns superior: A linear regression-based correction method to reaction energy from DFT S Nandi, J Busk, PB Jørgensen, T Vegge, A Bhowmik J Chem Inf Model 62, 4727, 2022 | 2 | 2022 |
Dr. Subhajit MandalDepartment of Chemistry, Indian Institute of Technology KharagpurVerified email at chem.iitkgp.ernet.in
