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

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Ultrafast Spin Crossover Photochemical Mechanism in [FeII(2,2′-bipyridine)3]2+] Revealed by Quantum Dynamics von Alías-Rodríguez, Marc, Bhattacharyya, Swarnendu, Huix-Rotllant, Miquel

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

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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-d... von Alías-Rodríguez, Marc, Bonfrate, Simone, Park, Woojin, Ferré, Nicolas, Choi, Cheol Ho, Huix-Rotllant, Miquel

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Size and Surface Effects in the Ultrafast Dynamics of Strongly Cooperative Spin‐Crossover Nanoparticles von Haddock, Tyler N., Delgado, Teresa, Alías‐Rodríguez, Marc, de Graaf, Coen, Enachescu, Cristian, van der Veen, Renske M.

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Quantum dynamics simulations of the thermal and light-induced high-spin to low-spin relaxation in Fe(bpy) 3 and Fe(mtz) 6 von Alías-Rodríguez, Marc, Huix-Rotllant, Miquel, de Graaf, Coen

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Highly oxidized U(vi) within the smallest fullerene: gas-phase synthesis and computational study of boron-doped U@C27B von Moreno-Vicente, Antonio, Alías-Rodríguez, Marc, Dunk, Paul W, Coen de Graaf, Poblet, Josep M, Rodríguez-Fortea, Antonio

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Control of Iron(II)‐Tris(2,2’‐Bipyridine) Light‐Induced Excited‐State Trapping via External Electromagnetic Fields von Alías‐Rodríguez, M., Huix‐Rotllant, M.

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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) von Alías-Rodríguez, Marc, Huix-Rotllant, Miquel, de Graaf, Coen

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Beyond the static description of the electronic structure:Excited state dynamics in transition metal complexes and organic compounds von Alías Rodríguez, Marc

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Highly oxidized U( vi ) within the smallest fullerene: gas-phase synthesis and computational study of boron-doped U@C 27 B von Moreno-Vicente, Antonio, Alías-Rodríguez, Marc, Dunk, Paul W., de Graaf, Coen, Poblet, Josep M., Rodríguez-Fortea, Antonio

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Highly oxidized U() within the smallest fullerene: gas-phase synthesis and computational study of boron-doped U@CB von Moreno-Vicente, Antonio, Alías-Rodríguez, Marc, Dunk, Paul W, de Graaf, Coen, Poblet, Josep M, Rodríguez-Fortea, Antonio

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Theory of out of equilibrium light-induced phenomena: general discussion von Alías-Rodríguez, Marc, Basini, Martina, Benfatto, Lara, Boeije, Yorrick, Burghardt, Irene, Burnett, Andrew, Chen, Lin, Collet, Eric, Cowin, Rory, Eremin, Ilya, Fleming, Graham, Girija, Aswathy V, Ishida, Kunio, Iwai, Shinichiro, Johansson, J. Olof, Johnson, Steven L, Katsumi, Kota, McCusker, James, Odin, Christophe, Puviani, Matteo, Rost, Jan M, Rostami, Habib, Udina, Mattia, Weinstein, Julia

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