Rate My Professor Rahul Kar

Rahul Kar has an extensive publication record in prestigious journals, advancing knowledge in density functional theory, range-separated functionals, photophysical properties, solvation effects, bond dissociation energies, ionization potentials, and applications in catalysis and materials science. Notable publications include: "A theoretical study on the antioxidant property of some flavonoids" (2012); "Long-range corrected density functionals combined with charge-transfer delocalization metric for prediction of photo-induced electron transfer rates" (2013); "Accurate computation of O-H BDE with range-separated hybrids" (2015); "Ionisation potential theorem in the presence of the electric field: A theoretical investigation" (2016); "Comparison with global and IP-tuned range-separated hybrids for the calculation of properties relevant to charge-transfer across interfaces" (2017); "Assessment of range-separated functionals in the presence of solvation effects" (2017); "Excited-State Properties of Some Thermally Activated Delayed Fluorescence Emitters" (2022); "Hybrid Molecules of Hydroxycinnamic and Hydroxybenzoic Acids: Synthesis, DFT Studies and Evaluation of Their Antioxidant Activities" (2022); "Understanding Photophysical Properties of Molecules Interacting with Gold Nanoclusters" (2023); "Polyphenolic metacyclophane as a radical scavenger for neuroprotective effects against H2O2-induced oxidative stress" (2024); "Zinc ferrite as a sustainable and robust catalyst for Suzuki-Miyaura cross-coupling reaction under air" (2026); and "Dual Functional Biodegradable Carboxymethylcellulose-Zinc-Cobalt Cross-Linked Hydrogel Beads with Inherent Biocidal Property for Multinutrient Fertilization: An Experimental Study with Theoretical Insights" (2026). These works, often in collaboration with departmental colleagues, underscore his impact in computational modeling of molecular interactions, sustainable materials, and photochemical processes.