Publications by authors named "Marc Alias-Rodriguez"

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Size and Surface Effects in the Ultrafast Dynamics of Strongly Cooperative Spin-Crossover Nanoparticles.
Tyler N Haddock, Teresa Delgado, Marc Alías-Rodríguez, Coen de de Graaf, Cristian Enachescu

Small· January 2025

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Solvent Effects and pH Dependence of the X-ray Absorption Spectra of Proline from Electrostatic Embedding Quantum Mechanics/Molecular Mechanics and Mixed-Reference Spin-Flip Time-dependent Density-Functional Theory.
Marc Alías-Rodríguez, Simone Bonfrate, Woojin Park, Nicolas Ferré, Cheol Ho Choi

J Phys Chem A· December 2023

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Ultrafast Spin Crossover Photochemical Mechanism in [Fe(2,2'-bipyridine)]] Revealed by Quantum Dynamics.
Marc Alías-Rodríguez, Swarnendu Bhattacharyya, Miquel Huix-Rotllant

J Phys Chem Lett· September 2023

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Mixed-Reference Spin-Flip Time-Dependent Density Functional Theory for Accurate X-ray Absorption Spectroscopy.
Woojin Park, Marc Alías-Rodríguez, Daeheum Cho, Seunghoon Lee, Miquel Huix-Rotllant

J Chem Theory Comput· October 2022

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Quantum dynamics simulations of the thermal and light-induced high-spin to low-spin relaxation in Fe(bpy) and Fe(mtz).
Marc Alías-Rodríguez, Miquel Huix-Rotllant, Coen de Graaf

Faraday Discuss· September 2022

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Theory of out of equilibrium light-induced phenomena: general discussion.
Marc Alías-Rodríguez, Martina Basini, Lara Benfatto, Yorrick Boeije, Irene Burghardt

Faraday Discuss· September 2022

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Ultrafast Intersystem Crossing in Xanthone from Wavepacket Dynamics.
Marc Alías-Rodríguez, Coen de Graaf, Miquel Huix-Rotllant

J Am Chem Soc· December 2021

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