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The Journal of Physical Chemistry. A|April 11, 2023
A First-Principles Investigation of Structure-Luminescence Activity of Donor-Acceptor-Donor Organic TriadPandiselvi Durairaj, Kiruthika Samuthirapandi, Sunandan SarkarPhysical Chemistry Chemical Physics : PCCP|November 12, 2025
Strategic functionalization of bromine and nitrogen at the bay region of perylene induces a heavy atom effect and promotes intersystem crossingPandiselvi Durairaj, Sonia Das, Sunandan SarkarThe Journal of Physical Chemistry. A|November 19, 2024
Heavy Atom at Bay of Perylene Significantly Improves Intersystem CrossingPandiselvi Durairaj, Durga Mukkonathil, Sunandan SarkarACS Applied Materials & Interfaces|June 10, 2024
Interfacial Charge Transfer in Photoexcited QD-Molecule Composite of Tetrahedral CdSe Quantum Dot Coupled with CarbazoleKiruthika Samuthirapandi, Pandiselvi Durairaj, Sunandan SarkarThe Journal of Physical Chemistry. A|August 10, 2026
Engineering Intersystem Crossing in π-Conjugated Molecules through Heavy-Atom Effects: Computational Design InsightsSonia Das, Pandiselvi Durairaj, Durga Mukkonathil, et al.The Journal of Physical Chemistry Letters|September 12, 2025
"Symmetry Breaking"-Assisted Distinct Molecular Packing in Self-Assembled Oligothiophenes Leading to Emissive Trap States and Enhanced Photocatalytic Solar H2 ProductionSoham Ghosh, Amit Kumar, Subhajit Kar, et al.Pageof 1