Josene M. Toldo

Assistant Professor (Maître de Conférences)
31
Documents
Affiliations actuelles
  • Laboratoire de Chimie - UMR5182 (LC)
  • Axe théorie (THEO)
  • Université Claude Bernard Lyon 1 (UCBL)
Identifiants chercheurs
Contact

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Publications

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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
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Molecular heaters: a green route to boosting crop yields?

Jack M Woolley , Natercia D N Rodrigues , Josene M Toldo , Benjamin Rioux , Chris Groves et al.

Physical Chemistry Chemical Physics, 2025, 14, pp.7375-7382. ⟨10.1039/d4cp04803b⟩

Article dans une revue hal-05012174v1
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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
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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 Solà et al.

Journal of Organic Chemistry, 2025, 90 (28), pp.9743-9756. ⟨10.1021/acs.joc.5c00578⟩

Article dans une revue hal-05511682v1
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Surface Hopping with Fully Correlated Methods

Ely G F de Miranda , Rafael Souza Mattos , Saikat Mukherjee , Josene M Toldo , Cheol Ho Choi et al.

Journal of Chemical Theory and Computation, 2025, ⟨10.1021/acs.jctc.5c01529⟩

Article dans une revue hal-05437133v1
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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 Toldo et al.

Digital Discovery, 2025, ⟨10.1039/d4dd00374h⟩

Article dans une revue hal-04918182v1
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Photoisomerization pathways of <i>trans</i>-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
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Spectroscopy and Excited-State Dynamics of Methyl Ferulate in Molecular Beams

Ivan Romanov , Yorrick Boeije , Josene M. Toldo , Mariana Telles Do Casal , Mario Barbatti et al.

Journal of Physical Chemistry A, 2024

Article dans une revue (data paper) hal-04820938v1
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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
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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
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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
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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
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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
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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
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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
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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
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Direct structural observation of ultrafast photoisomerization dynamics in sinapate esters

Temitope T. Abiola , Josene M. Toldo , Mariana Telles Do Casal , Amandine L. Flourat , Benjamin Rioux et al.

Communications Chemistry, 2022, 5 (141), pp.1-9. ⟨10.1038/s42004-022-00757-6⟩

Article dans une revue hal-03839302v1
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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 Amoruso et al.

Physical Chemistry Chemical Physics, In press, ⟨10.1039/d2cp03238d⟩

Article dans une revue hal-03760203v1
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Modeling the heating and cooling of a chromophore after photoexcitation

Elizete Ventura , Silmar Andrade Do Monte , Mariana T. Do Casal , Max Pinheiro , Josene Toldo et al.

Physical Chemistry Chemical Physics, In press, ⟨10.1039/d2cp00686c⟩

Article dans une revue hal-03643376v1
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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
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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
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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 Horbury et al.

Journal of Physical Chemistry Letters, 2021, 12 (1), pp.337 - 344. ⟨10.1021/acs.jpclett.0c03004⟩

Article dans une revue hal-04153255v1
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Towards developing novel and sustainable molecular light-to-heat converters

Temitope T Abiola , Benjamin Rioux , Josene M Toldo , Jimmy Alarcan , Jack M Woolley et al.

Chemical Science, 2021, 12, pp.15239-15252. ⟨10.1039/d1sc05077j⟩

Article dans une revue hal-03426788v1
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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 Santos et al.

International Journal of Photoenergy, 2021, 2021, pp.1 - 17. ⟨10.1155/2021/8852979⟩

Article dans une revue hal-04862367v1
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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
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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
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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 Horbury et al.

Journal of Physical Chemistry Letters, 2020

Article dans une revue hal-03063764v1
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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 Rabten et al.

Journal of the American Chemical Society, 2020, 142 (25), pp.10942-10954. ⟨10.1021/jacs.9b13769⟩

Article dans une revue hal-04862369v1
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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