Alekos Segalina

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 Approach

Alekos Segalina, Daniel Aranda, James A. Green et al. · Journal of Chemical Theory and Computation · 2022 · 40 citations · Full text

Perylene Diimide Dimers, Quantum Dynamic, Engineering +18

Accounting for Vibronic Features through a Mixed Quantum-Classical Scheme: Structure, Dynamics, and Absorption Spectra of a Perylene Diimide Dye in Solution

Alekos Segalina, Javier Cerezo, Giacomo Prampolini et al. · Journal of Chemical Theory and Computation · 2020 · 34 citations · Full text

Computational Modeling of Exciton Localization in Self-Assembled Perylene Helices: Effects of Thermal Motion and Aggregate Size

Alekos Segalina, Xavier Assfeld, Antonio Monari et al. · The Journal of Physical Chemistry C · 2019 · 28 citations · Full text

Engineering, Molecular Self-assembly, Aggregate Size +24

Cocrystals of Nitrofurantoin: How Coformers Can Modify Its Solubility and Permeability Across Intestinal Cell Monolayers

Alekos Segalina, Barbara Pavan, V. Ferretti et al. · Crystal Growth & Design · 2022 · 24 citations · Full text

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-DFT

Giacomo Prampolini, Francesca Ingrosso, Alekos Segalina et al. · Journal of Chemical Theory and Computation · 2018 · 23 citations · Full text

Optical Materials, Heteroleptic Ru, Engineering +19