Josene M. Toldo Assistant Professor (Maître de Conférences)

Identifiants chercheurs

IdHAL :

josene-toldo

ORCID :

0000-0002-8969-6635

Publications

Article dans une revue (29)

Deciphering the molecular origin of the 19.3 eV electronic excitation energy of H3+ Josene M. Toldo,Jakob Staab,Eduard Matito,Cina Foroutan-Nejad,Henrik Ottosson Chemical Science, 2026, ⟨10.1039/D5SC09067A⟩ Article dans une revue hal-05511694v1
Photophysics of resveratrol derivatives for singlet oxygen formation Mariana Yoshinaga,Josene M Toldo,Willian R Rocha,Mario Barbatti Physical Chemistry Chemical Physics, 2025, ⟨10.1039/d5cp00840a⟩ Article dans une revue hal-05096347v1
Surface Hopping with Fully Correlated Methods Ely G F de Miranda,Rafael Souza Mattos,Saikat Mukherjee,Josene M Toldo,Cheol Ho Choiet al. Journal of Chemical Theory and Computation, 2025, ⟨10.1021/acs.jctc.5c01529⟩ Article dans une revue hal-05437133v1
Toward a Systematics for the Lowest Excited States of Heteroaromatics Enabled via Cyclic π-Conjugated Carbenes and Heteroelement Analogues Nathalie Proos Vedin,Josene M. Toldo,Sílvia Escayola,Slavko Radenković,Miquel Solàet al. Journal of Organic Chemistry, 2025, 90 (28), pp.9743-9756. ⟨10.1021/acs.joc.5c00578⟩ Article dans une revue hal-05511682v1
Molecular heaters: a green route to boosting crop yields? Jack M Woolley,Natercia D N Rodrigues,Josene M Toldo,Benjamin Rioux,Chris Groveset al. Physical Chemistry Chemical Physics, 2025, 14, pp.7375-7382. ⟨10.1039/d4cp04803b⟩ Article dans une revue hal-05012174v1
ULaMDyn: enhancing excited-state dynamics analysis through streamlined unsupervised learning Max Pinheiro,Matheus de Oliveira Bispo,Rafael S Mattos,Mariana Telles Do Casal,Josene M Toldoet al. Digital Discovery, 2025, ⟨10.1039/d4dd00374h⟩ Article dans une revue hal-04918182v1
Photoisomerization pathways of &lt;i&gt;trans&lt;/i&gt;-resveratrol Mariana Yoshinaga,Josene M Toldo,Willian R Rocha,Mario Barbatti Physical Chemistry Chemical Physics, 2024, ⟨10.1039/d4cp02373k⟩ Article dans une revue hal-04697702v1
Prediction Challenge: Simulating Rydberg Photoexcited Cyclobutanone with Surface Hopping Dynamics based on Different Electronic Structure Methods Saikat Mukherjee,Rafael S Mattos,Josene M Toldo,Hans Lischka,Mario Barbatti The Journal of Chemical Physics, 2024, 160, ⟨10.1063/5.0203636⟩ Article dans une revue hal-04548371v1
Spectroscopy and Excited-State Dynamics of Methyl Ferulate in Molecular Beams Ivan Romanov,Yorrick Boeije,Josene M. Toldo,Mariana Telles Do Casal,Mario Barbattiet al. Journal of Physical Chemistry A, 2024 Article dans une revue (data paper) hal-04820938v1
Ultrafast Dynamics of Diketopyrrolopyrrole (DPP) Dimers Ali Al-Jaaidi,Josene M. Toldo,Mario Barbatti Journal of Computational Chemistry, 2024, 46 (1), ⟨10.1002/jcc.27547⟩ Article dans une revue hal-04820810v1
Recommendations for Velocity Adjustment in Surface Hopping Josene M Toldo,Rafael S Mattos,Max Pinheiro,Saikat Mukherjee,Mario Barbatti Journal of Chemical Theory and Computation, In press, ⟨10.1021/acs.jctc.3c01159⟩ Article dans une revue hal-04389834v1
Understanding the Impact of Symmetrical Substitution on the Photodynamics of Sinapate Esters Using Gas-Phase Ultrafast Spectroscopy Jack Dalton,Josene M Toldo,Florent Allais,Mario Barbatti,Vasilios G Stavros Journal of Physical Chemistry Letters, 2023, 14 (39), pp.8771 - 8779. ⟨10.1021/acs.jpclett.3c02134⟩ Article dans une revue hal-04216259v1
Surface hopping modeling of charge and energy transfer in active environments Josene M Toldo,Mariana T Do Casal,Elizete Ventura,Silmar A Do Monte,Mario Barbatti Physical Chemistry Chemical Physics, In press, ⟨10.1039/d3cp00247k⟩ Article dans une revue hal-04029466v1
Classification of doubly excited molecular electronic states Mariana T Do Casal,Josene M Toldo,Mario Barbatti,Felix Plasser Chemical Science, 2023, 14, pp.4012 - 4026. ⟨10.1039/d2sc06990c⟩ Article dans une revue hal-04102333v1
Temperature effects on the internal conversion of excited adenine and adenosine Ritam Mansour,Josene M Toldo,Saikat Mukherjee,Max Pinheiro,Mario Barbatti Physical Chemistry Chemical Physics, 2023, 25 (40), pp.27083 - 27093. ⟨10.1039/d3cp03234e⟩ Article dans une revue hal-04496238v1
Role of the Hydrogen Bond on the Internal Conversion of Photoexcited Adenosine Ritam Mansour,Josene M Toldo,Mario Barbatti Journal of Physical Chemistry Letters, 2022, 13, pp.6194 - 6199. ⟨10.1021/acs.jpclett.2c01554⟩ Article dans une revue hal-03709697v1
Direct structural observation of ultrafast photoisomerization dynamics in sinapate esters Temitope T. Abiola,Josene M. Toldo,Mariana Telles Do Casal,Amandine L. Flourat,Benjamin Riouxet al. Communications Chemistry, 2022, 5 (141), pp.1-9. ⟨10.1038/s42004-022-00757-6⟩ Article dans une revue hal-03839302v1
Probing the electronic structure and photophysics of thiophene–diketopyrrolopyrrole derivatives in solution Daniel W Polak,Mariana T Do Casal,Josene M Toldo,Xiantao Hu,Giordano Amorusoet al. Physical Chemistry Chemical Physics, In press, ⟨10.1039/d2cp03238d⟩ Article dans une revue hal-03760203v1
Modeling the heating and cooling of a chromophore after photoexcitation Elizete Ventura,Silmar Andrade Do Monte,Mariana T. Do Casal,Max Pinheiro,Josene Toldoet al. Physical Chemistry Chemical Physics, In press, ⟨10.1039/d2cp00686c⟩ Article dans une revue hal-03643376v1
Using diketopyrrolopyrroles to stabilize double excitation and control internal conversion Mariana T Do Casal,Josene M Toldo,Felix Plasser,Mario Barbatti Physical Chemistry Chemical Physics, 2022, ⟨10.1039/d2cp03533b⟩ Article dans une revue hal-03790098v1
New Generation UV-A Filters: Understanding Their Photodynamics on a Human Skin Mimic Temitope T Abiola,Natércia D N Rodrigues,Casey Ho,Daniel J L Coxon,Michael D Horburyet al. Journal of Physical Chemistry Letters, 2021, 12 (1), pp.337 - 344. ⟨10.1021/acs.jpclett.0c03004⟩ Article dans une revue hal-04153255v1
Fewest switches surface hopping with Baeck-An couplings Mariana T. Do Casal,Josene M Toldo,Max Pinheiro Jr,Mario Barbatti Open Research Europe, 2021, 1, ⟨10.12688/openreseurope.13624.1⟩ Article dans une revue hal-03249607v1
Towards developing novel and sustainable molecular light-to-heat converters Temitope T Abiola,Benjamin Rioux,Josene M Toldo,Jimmy Alarcan,Jack M Woolleyet al. Chemical Science, 2021, 12, pp.15239-15252. ⟨10.1039/d1sc05077j⟩ Article dans une revue hal-03426788v1
Guest-Host Interactions in Symmetrical Carboxy Heptamethine Cyanine Dyes-Titanium Dioxide Systems: Synthesis, Theoretical Calculations, Aggregation Properties, and Application in Dye-Sensitized Solar Cells Rodrigo da Costa Duarte,Matheus Costa de Oliveira,Josene Maria Toldo,Paulo Fernando Bruno Gonçalves,Marcos José Leite Santoset al. International Journal of Photoenergy, 2021, 2021, pp.1 - 17. ⟨10.1155/2021/8852979⟩ Article dans une revue hal-04862367v1
Mechanistic Aspects of the Photophysics of UVA Filters Based on Meldrum Derivatives Josene M Toldo,Mariana T Do Casal,Mario Barbatti Journal of Physical Chemistry A, 2021, 125 (25), pp.5499-5508. ⟨10.1021/acs.jpca.1c03315⟩ Article dans une revue hal-03276126v1
New Generation UV-A Filters: Understanding their Photodynamics on a Human Skin Mimic Temitope T Abiola,Natércia D N Rodrigues,Ho Casey,Daniel J L Coxon,Michael D Horburyet al. Journal of Physical Chemistry Letters, 2020 Article dans une revue hal-03063764v1
On the Origin of the Shift Between Vertical Excitation and Band Maximum in Molecular Photoabsorption Shuming Bai,Ritam Mansour,Ljiljana Stojanović,Josene Toldo,Mario Barbatti Journal of Molecular Modeling, 2020, 26 (5), ⟨10.1007/s00894-020-04355-y⟩ Article dans une revue hal-02612358v1
Impact of Excited-State Antiaromaticity Relief in a Fundamental Benzene Photoreaction Leading to Substituted Bicyclo[3.1.0]hexenes Tomáš Slanina,Rabia Ayub,Josene M. Toldo,Johan Sundell,Wangchuk Rabtenet al. Journal of the American Chemical Society, 2020, 142 (25), pp.10942-10954. ⟨10.1021/jacs.9b13769⟩ Article dans une revue hal-04862369v1
A three-state model for the Photo-Fries rearrangement Josene Toldo,Mario Barbatti,Paulo F. B. Gonçalves Physical Chemistry Chemical Physics, 2017, 29 (19), pp.19103-19108. ⟨10.1039/C7CP03777E⟩ Article dans une revue hal-02288764v1

Pré-publication, Document de travail (2)

Deciphering the astrophotochemical inertness of H3+ at molecular level Josene M. Toldo,Jakob Staab,Eduard Matito,Cina Foroutan-Nejad,Henrik Ottosson 2024 Pré-publication, Document de travail hal-04821017v1
ULaMDyn: Enhancing Excited-State Dynamics Analysis Through Streamlined Unsupervised Learning Max Pinheiro Jr,Matheus O Bispo,Rafael S Mattos,Mariana Telles Do Casal,Bidhan Chandra Garainet al. 2024 Pré-publication, Document de travail (preprint/prepublication) hal-04820823v1