Classification of doubly excited molecular electronic states
do Casal, Mariana T, Toldo, Josene M, Barbatti, Mario, Plasser, Felix
Published in Chemical science (Cambridge) (12.04.2023)
Published in Chemical science (Cambridge) (12.04.2023)
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Journal Article
Excitonic and charge transfer interactions in tetracene stacked and T-shaped dimers
C A Valente, Daniel, do Casal, Mariana T, Barbatti, Mario, Niehaus, Thomas A, Aquino, Adelia J A, Lischka, Hans, Cardozo, Thiago M
Published in The Journal of chemical physics (28.01.2021)
Published in The Journal of chemical physics (28.01.2021)
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Journal Article
Design and Synthesis of Asymmetric Au(III) Complexes Exhibiting Bright Anisotropic Emission for High‐Performance Organic Light‐Emitting Diodes
Kuo, Hsin‐Hung, Kumar, Sudhir, Omongos, Rashen Lou, T. do Casal, Mariana, Usteri, Marc Eduard, Wörle, Michael, Escudero, Daniel, Shih, Chih‐Jen
Published in Advanced optical materials (01.06.2023)
Published in Advanced optical materials (01.06.2023)
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Journal Article
Direct structural observation of ultrafast photoisomerization dynamics in sinapate esters
Abiola, Temitope T, Toldo, Josene M, do Casal, Mariana T, Flourat, Amandine L, Rioux, Benjamin, Woolley, Jack M, Murdock, Daniel, Allais, Florent, Barbatti, Mario, Stavros, Vasilios G
Published in Communications chemistry (31.10.2022)
Published in Communications chemistry (31.10.2022)
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Journal Article
Fewest switches surface hopping with Baeck-An couplings
T. do Casal, Mariana, Toldo, Josene M., Pinheiro Jr, Max, Barbatti, Mario
Published in Open research Europe (01.01.2021)
Published in Open research Europe (01.01.2021)
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Journal Article
First-Principles Calculations of Excited-State Decay Rate Constants in Organic Fluorophores
do Casal, Mariana T., Veys, Koen, Bousquet, Manon H. E., Escudero, Daniel, Jacquemin, Denis
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (07.12.2023)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (07.12.2023)
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Journal Article
Probing the electronic structure and photophysics of thiophene-diketopyrrolopyrrole derivatives in solution
Polak, Daniel W, do Casal, Mariana T, Toldo, Josene M, Hu, Xiantao, Amoruso, Giordano, Pomeranc, Olivia, Heeney, Martin, Barbatti, Mario, Ashfold, Michael N. R, Oliver, Thomas A. A
Published in Physical chemistry chemical physics : PCCP (31.08.2022)
Published in Physical chemistry chemical physics : PCCP (31.08.2022)
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Journal Article
New Generation UV-A Filters: Understanding Their Photodynamics on a Human Skin Mimic
Abiola, Temitope T, Rodrigues, Natércia D N, Ho, Casey, Coxon, Daniel J L, Horbury, Michael D, Toldo, Josene M, do Casal, Mariana T, Rioux, Benjamin, Peyrot, Cédric, Mention, Matthieu M, Balaguer, Patrick, Barbatti, Mario, Allais, Florent, Stavros, Vasilios G
Published in The journal of physical chemistry letters (14.01.2021)
Published in The journal of physical chemistry letters (14.01.2021)
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Journal Article
Probing the electronic structure and photophysics of thiophene-diketopyrrolopyrrole derivatives in solution
Polak, Daniel W, do Casal, Mariana T, Toldo, Josene M, Hu, Xiantao, Amoruso, Giordano, Pomeranc, Olivia, Heeney, Martin, Barbatti, Mario, Ashfold, Michael N R, Oliver, Thomas A A
Published in arXiv.org (06.07.2022)
Published in arXiv.org (06.07.2022)
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Journal Article
New Generation UV-A Filters: Understanding their Photodynamics on a Human Skin Mimic
Abiola, Temitope T, Rodrigues, Natércia D N, Casey, Ho, Coxon, Daniel J L, Horbury, Michael D, Toldo, Josene M, Do Casal, Mariana T, Rioux, Benjamin, Peyrot, Cédric, Mention, Matthieu M, Balaguer, Patrick, Barbatti, Mario, Allais, Florent, Stavros, Vasilios G
Published in The journal of physical chemistry letters (07.12.2020)
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Published in The journal of physical chemistry letters (07.12.2020)
Journal Article
Fewest switches surface hopping with Baeck-An couplings
T. do Casal, Mariana, Toldo, Josene M., Pinheiro Jr, Max, Barbatti, Mario
Published in Open research Europe (2021)
Published in Open research Europe (2021)
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Journal Article