Surajit Nandi
Indian Institute of Technology Kharagpur(IN)
Publications by Year
Research Areas
Machine Learning in Materials Science, Computational Drug Discovery Methods, Advanced Chemical Physics Studies, Luminescence and Fluorescent Materials, Photochromic and Fluorescence Chemistry
Most-Cited Works
- → Molecular Engineering of Triphenylamine Based Aggregation Enhanced Emissive Fluorophore: Structure-Dependent Mechanochromism and Self-Reversible Fluorescence Switching(2016)105 cited
- → A p‐Hydroxyphenacyl–Benzothiazole–Chlorambucil Conjugate as a Real‐Time‐Monitoring Drug‐Delivery System Assisted by Excited‐State Intramolecular Proton Transfer(2016)70 cited
- → Alteration of Electronic Band Structure via a Metal–Semiconductor Interfacial Effect Enables High Faradaic Efficiency for Electrochemical Nitrogen Fixation(2021)58 cited
- → Prebiotic Chemistry of HCN Tetramerization by Automated Reaction Search(2018)40 cited
- → Theoretical insights into CO2 hydrogenation to methanol by a Mn–PNP complex(2019)40 cited
- → A tabu-search based strategy for modeling molecular aggregates and binary reactions(2017)39 cited
- → Chemical promenades: Exploring potential‐energy surfaces with immersive virtual reality(2020)36 cited
- → Pd-catalyzed intramolecular sequential Heck cyclization and oxidation reactions: a facile pathway for the synthesis of substituted cycloheptenone evaluated using computational studies(2016)33 cited
- → A coordination-assisted general approach to nickel-based nano metallogels(2013)29 cited
- → MultiXC-QM9: Large dataset of molecular and reaction energies from multi-level quantum chemical methods(2023)28 cited