Quantum Chemistry Group
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Ritaj Tyagi
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Directing an elusive photoredox [4+2] cycloaddition reaction in water by altering the shape of nano-confinement
Optical gaps of F-center defects in LiF using many-body methods
Polarization-Induced Quantum Confinement of Negative Charge Carriers by Organic Nanoporous Frameworks
Structural determinants of photo-accumulated charge storage in poly-heptazine imides
Single-Pole Polarization Models: Rapid Evaluation of Electron Affinities of Solvated-Electron and Superatomic Molecular Anionic States
Black Gold-Based “Antenna–Reactor” To Activate Non-Plasmonic Nickel: Photocatalytic Hydrodechlorination and Hydrogenation Reactions
Quantifying the Impact of Halogenation on Intermolecular Interactions and Binding Modes of Aromatic Molecules
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