| Fewest switches surface hopping with Baeck-An couplings MT Do Casal, JM Toldo, M Pinheiro Jr, M Barbatti Open Research Europe 1, 49, 2022 | 44* | 2022 |
| New Generation UV-A filters: Understanding their photodynamics on a human skin mimic TT Abiola, NN Rodrigues, C Ho, DJL Coxon, MD Horbury, JM Toldo, ... The Journal of Physical Chemistry Letters 12 (1), 337-344, 2020 | 36 | 2020 |
| Towards developing novel and sustainable molecular light-to-heat converters TT Abiola, B Rioux, JM Toldo, J Alarcan, JM Woolley, MAP Turner, ... Chemical Science 12 (46), 15239-15252, 2021 | 28 | 2021 |
| Surface hopping modeling of charge and energy transfer in active environments JM Toldo, MT Do Casal, E Ventura, SA Do Monte, M Barbatti Physical Chemistry Chemical Physics 25 (12), 8293-8316, 2023 | 23 | 2023 |
| Mechanistic aspects of the photophysics of UVA filters based on meldrum derivatives JM Toldo, MT Do Casal, M Barbatti The Journal of Physical Chemistry A 125 (25), 5499-5508, 2021 | 23 | 2021 |
| Excitonic and charge transfer interactions in tetracene stacked and T-shaped dimers D CA Valente, MT Do Casal, M Barbatti, TA Niehaus, AJA Aquino, ... The Journal of Chemical Physics 154 (4), 2021 | 22 | 2021 |
| First-principles calculations of excited-state decay rate constants in organic fluorophores MT do Casal, K Veys, MHE Bousquet, D Escudero, D Jacquemin The Journal of Physical Chemistry A 127 (48), 10033-10053, 2023 | 21 | 2023 |
| Classification of doubly excited molecular electronic states MT Do Casal, JM Toldo, M Barbatti, F Plasser Chemical Science 14 (15), 4012-4026, 2023 | 20 | 2023 |
| Highly regioselective iodination of N-phenylureas with iodine/trichloroisocyanuric acid CM Sanabria, MT do Casal, RBA de Souza, LCS de Aguiar, ... Synthesis 49 (07), 1648-1654, 2017 | 19 | 2017 |
| Impact of low-cost methods in the description of excimer and exciplex formation: Pyrene–pyrene and pyrene–naphthalene case studies MT do Casal, TM Cardozo Theoretical Chemistry Accounts 139, 1-13, 2020 | 11 | 2020 |
| Probing the electronic structure and photophysics of thiophene–diketopyrrolopyrrole derivatives in solution DW Polak, MT Do Casal, JM Toldo, X Hu, G Amoruso, O Pomeranc, ... Physical Chemistry Chemical Physics 24 (34), 20138-20151, 2022 | 9 | 2022 |
| Using diketopyrrolopyrroles to stabilize double excitation and control internal conversion MT Do Casal, JM Toldo, F Plasser, M Barbatti Physical Chemistry Chemical Physics 24 (38), 23279-23288, 2022 | 7 | 2022 |
| Modeling the heating and cooling of a chromophore after photoexcitation E Ventura, SA Do Monte, MT Do Casal, M Pinheiro, JM Toldo, M Barbatti Physical Chemistry Chemical Physics 24 (16), 9403-9410, 2022 | 5 | 2022 |
| Direct structural observation of ultrafast photoisomerization dynamics in sinapate esters TT Abiola, JM Toldo, MT do Casal, AL Flourat, B Rioux, JM Woolley, ... Communications Chemistry 5 (1), 141, 2022 | 4 | 2022 |
| Design and Synthesis of Asymmetric Au (III) Complexes Exhibiting Bright Anisotropic Emission for High‐Performance Organic Light‐Emitting Diodes HH Kuo, S Kumar, RL Omongos, M T. do Casal, ME Usteri, M Wörle, ... Advanced Optical Materials 11 (12), 2202519, 2023 | 3 | 2023 |
| Modeling MR-TADF Emitters: Excited-State Decay Rate Constants and Wave Function Descriptors M T. do Casal, Y Badawy, D Escudero The Journal of Physical Chemistry C 128 (43), 18170-18181, 2024 | 1 | 2024 |
| ULaMDyn: enhancing excited-state dynamics analysis through streamlined unsupervised learning M Pinheiro, M de Oliveira Bispo, RS Mattos, MT Do Casal, BC Garain, ... Digital Discovery, 2025 | | 2025 |
| Spectroscopy and Excited-State Dynamics of Methyl Ferulate in Molecular Beams I Romanov, Y Boeije, JM Toldo, MT Do Casal, M Barbatti, WJ Buma The Journal of Physical Chemistry A 129 (1), 36-49, 2024 | | 2024 |
| Correction: Modeling the heating and cooling of a chromophore after photoexcitation E Ventura, SA do Monte, MT do Casal, M Pinheiro, JM Toldo, M Barbatti Physical Chemistry Chemical Physics 24 (25), 15604-15604, 2022 | | 2022 |
Mario BarbattiProfessor at Aix-Marseille University & Institut Universitaire de Franceยืนยันอีเมลแล้วที่ univ-amu.fr