| On the origin of the shift between vertical excitation and band maximum in molecular photoabsorption S Bai, R Mansour, L Stojanović, JM Toldo, M Barbatti Journal of molecular modeling 26, 1-9, 2020 | 58 | 2020 |
| Impact of excited-state antiaromaticity relief in a fundamental benzene photoreaction leading to substituted bicyclo [3.1. 0] hexenes T Slanina, R Ayub, J Toldo, J Sundell, W Rabten, M Nicaso, I Alabugin, ... Journal of the American Chemical Society 142 (25), 10942-10954, 2020 | 45 | 2020 |
| Investigating the intersystem crossing rate and triplet quantum yield of Protoporphyrin IX by means of pulse train fluorescence technique F Gotardo, LHZ Cocca, TV Acunha, A Longoni, J Toldo, PFB Gonçalves, ... Chemical Physics Letters 674, 48-57, 2017 | 45 | 2017 |
| 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 |
| Bis-arylsulfenyl-and bis-arylselanyl-benzo-2, 1, 3-thiadiazoles: synthesis and photophysical characterization RA Balaguez, VG Ricordi, RC Duarte, JM Toldo, CM Santos, ... RSC advances 6 (55), 49613-49624, 2016 | 44 | 2016 |
| Is Excited State Aromaticity a Driving Force for Planarization of Dibenzannelated 8π-Electron Heterocycles? J Toldo, O El Bakouri, M Solà i Puig, PO Norrby, H Ottosson © ChemPlusChem, 2019, vol. 84, núm. 6, p. 712-721, 2019 | 41 | 2019 |
| 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 | 35 | 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 |
| Benzothiazole merocyanine dyes as middle pH optical sensors FL Coelho, R da Costa Duarte, C de Ávila Braga, JM Toldo, ... Dyes and Pigments 176, 108193, 2020 | 24 | 2020 |
| 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 |
| Classification of doubly excited molecular electronic states MT Do Casal, JM Toldo, M Barbatti, F Plasser Chemical Science 14 (15), 4012-4026, 2023 | 21 | 2023 |
| Experimental and theoretical investigation of long-wavelength fluorescence emission in push–pull benzazoles: intramolecular proton transfer or charge transfer in the excited state? G Wiethaus, JM Toldo, F da Silveira Santos, R da Costa Duarte, ... Physical Chemistry Chemical Physics 21 (8), 4408-4420, 2019 | 21 | 2019 |
| A three-state model for the photo-Fries rearrangement JM Toldo, M Barbatti, PFB Gonçalves Physical Chemistry Chemical Physics 19 (29), 19103-19108, 2017 | 21 | 2017 |
| Recommendations for velocity adjustment in surface hopping JM Toldo, RS Mattos, M Pinheiro Jr, S Mukherjee, M Barbatti Journal of Chemical Theory and Computation 20 (2), 614-624, 2024 | 20 | 2024 |
| Dipolar vinyl sulfur fluorescent dyes. Synthesis and photophysics of sulfide, sulfoxide and sulfone based D–π–A compounds M Monçalves, GM Zanotto, JM Toldo, DS Rampon, PH Schneider, ... RSC Advances 7 (15), 8832-8842, 2017 | 18 | 2017 |
| Photophysical characterisation of Tröger's base molecular scaffolds: a combined theoretical and experimental study DMP Aroche, JM Toldo, RR Descalzo, PFB Gonçalves, FS Rodembusch New Journal of Chemistry 39 (9), 6987-6996, 2015 | 15 | 2015 |
| Role of the hydrogen bond on the internal conversion of photoexcited adenosine R Mansour, JM Toldo, M Barbatti The Journal of Physical Chemistry Letters 13 (26), 6194-6199, 2022 | 13 | 2022 |
| Ground and excited state properties of chalcogenol esters: a combined theoretical and experimental study D da Silveira Rampon, F da Silveira Santos, RR Descalzo, JM Toldo, ... Journal of Physical Organic Chemistry 27 (4), 336-343, 2014 | 13 | 2014 |
| Theoretical and experimental study of the ground and excited states of 1, 4-dihydropyridine based hexahydroquinoline derivatives achieved by microwave irradiation MG Gündüz, CB da Silva, GM Zanotto, JM Toldo, R Şimşek, C Şafak, ... New Journal of Chemistry 41 (20), 11686-11694, 2017 | 12 | 2017 |