Showing results (1-10 of 15) with videos related to
Sort By:
Pageof 2
The Journal of Physical Chemistry Letters|May 17, 2025
Photoinduced Dissociation of Halobenzenes: Nonadiabatic Molecular Dynamics Simulations Reveal Key PathwaysDonghwan Im, Alekos Segalina, Hyotcherl IheePhysical Chemistry Chemical Physics : PCCP|March 2, 2026
Solvent-accelerated photoreduction of Hg(II) dihalides: uncovering solvent-governed and light-triggered mercury chemistryDonghwan Im, Alekos Segalina, Hyotcherl IheeJournal of Chemical Theory and Computation|July 29, 2021
Structure and Energetics of Dye-Sensitized NiO Interfaces in Water from Ab Initio MD and Large-Scale GW CalculationsAlekos Segalina, Sébastien Lebègue, Dario Rocca, et al.Journal of Chemical Theory and Computation|October 30, 2020
Accounting for Vibronic Features through a Mixed Quantum-Classical Scheme: Structure, Dynamics, and Absorption Spectra of a Perylene Diimide Dye in SolutionAlekos Segalina, Javier Cerezo, Giacomo Prampolini, et al.ACS Applied Materials & Interfaces|January 20, 2025
Exploring the Impact of Ionic Additives on the Structure and Energetics of Dye-Sensitized NiO Interfaces: Insights from Electrochemistry and First-Principles CalculationsAlekos Segalina, Rita Boaretto, Stefano Caramori, et al.Journal of Chemical Theory and Computation|November 28, 2018
Dynamical and Environmental Effects on the Optical Properties of an Heteroleptic Ru(II)-Polypyridine Complex: A Multilevel Approach Combining Accurate Ground and Excited State QM-Derived Force Fields, MD and TD-DFTGiacomo Prampolini, Francesca Ingrosso, Alekos Segalina, et al.Physical Chemistry Chemical Physics : PCCP|November 13, 2025
Uncovering elusive ultrafast charge transfer-driven structural changes in 4,4'-bis(9-carbazol-9-yl)-1,1'-biphenyl, a paradigmatic molecular triadJungkweon Choi, Donghwan Im, Jeong Hoon Lee, et al.Nature Communications|April 18, 2026
Structural basis of FatB-mediated iron uptake via tyrosine/histidine direct coordination accompanying long-distance domain reorganizationHyosub Lee, Seong Ok Kim, Seyoung You, et al.Nanoscale|September 30, 2025
Anticooperative self-assembly of perylene diimide dyes in water unveiled by advanced molecular dynamics simulationsMarta Cantina, Daniele Padula, Alekos Segalina, et al.Journal of the American Chemical Society|January 19, 2026
Delocalization versus Coherence under Vibrational and Environmental Disorder in Photoexcited Supramolecular AggregatesSamuele Giannini, Alekos Segalina, Daniele Padula, et al.Pageof 2