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Journal of Chemical Theory and Computation|November 4, 2025
Deciphering Charge Transfer and Hydrogen Bonding Characteristics from Liquid Water XAS SpectraAlekos Segalina, Taehwan Jang, Minho M Kim, et al.Journal of Chemical Theory and Computation|April 4, 2022
How the Interplay among Conformational Disorder, Solvation, Local, and Charge-Transfer Excitations Affects the Absorption Spectrum and Photoinduced Dynamics of Perylene Diimide Dimers: A Molecular Dynamics/Quantum Vibronic ApproachAlekos Segalina, Daniel Aranda, James A Green, et al.Advanced Science (Weinheim, Baden-Wurttemberg, Germany)|July 8, 2024
Ultrafast Interfacial Charge Transfer Initiates Mechanical Stress and Heat Transport at the Au-TiO2 InterfaceJun Heo, Alekos Segalina, Doyeong Kim, et al.Nature|January 10, 2024
Capturing the generation and structural transformations of molecular ionsJun Heo, Doyeong Kim, Alekos Segalina, et al.Nature Communications|February 25, 2025
Ultrafast structural dynamics of carbon-carbon single-bond rotation in transient radical species at non-equilibriumSeonggon Lee, Hosung Ki, Donghwan Im, et al.Pageof 2