Josene M Toldo
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Explore the profile of Josene M Toldo including associated specialties, affiliations and a list of published articles.
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20
Citations
95
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Recent Articles
1.
Pinheiro Jr M, de Oliveira Bispo M, Mattos R, Telles do Casal M, Chandra Garain B, Toldo J, et al.
Digit Discov
. 2025 Jan;
4(3):666-682.
PMID: 39885946
The analysis of nonadiabatic molecular dynamics (NAMD) data presents significant challenges due to its high dimensionality and complexity. To address these issues, we introduce ULaMDyn, a Python-based, open-source package designed...
2.
Romanov I, Boeije Y, Toldo J, Do Casal M, Barbatti M, Buma W
J Phys Chem A
. 2024 Dec;
129(1):36-49.
PMID: 39688363
The spectroscopic and dynamic properties of methyl ferulate─a naturally occurring ultraviolet-protecting filter─and microsolvated methyl ferulate have been studied under molecular beam conditions using resonance-enhanced multiphoton ionization spectroscopy in combination with...
3.
Al-Jaaidi A, Toldo J, Barbatti M
J Comput Chem
. 2024 Dec;
46(1):e27547.
PMID: 39673543
Diketopyrrolopyrroles (DPPs) have attracted attention for their potential applications in organic photovoltaics due to their tunable optical properties and charge-carrier mobilities. In this study, we investigate the excited-state dynamics of...
4.
Yoshinaga M, Toldo J, Rocha W, Barbatti M
Phys Chem Chem Phys
. 2024 Sep;
26(36):24179-24188.
PMID: 39254634
Resveratrol is well-known for promoting health benefits due to its antioxidant, anti-aging, anti-carcinogenic, and other beneficial activities. Understanding the photophysics of resveratrol is essential for determining its applicability to pharmaceutical...
5.
Mukherjee S, Mattos R, Toldo J, Lischka H, Barbatti M
J Chem Phys
. 2024 Apr;
160(15).
PMID: 38624122
This research examines the nonadiabatic dynamics of cyclobutanone after excitation into the n → 3s Rydberg S2 state. It stems from our contribution to the Special Topic of the Journal...
6.
Toldo J, Mattos R, Pinheiro Jr M, Mukherjee S, Barbatti M
J Chem Theory Comput
. 2024 Jan;
20(2):614-624.
PMID: 38207213
This study investigates velocity adjustment directions after hopping in surface hopping dynamics. Using fulvene and a protonated Schiff base (PSB4) as case studies, we investigate the population decay and reaction...
7.
Mansour R, Toldo J, Mukherjee S, Pinheiro Jr M, Barbatti M
Phys Chem Chem Phys
. 2023 Oct;
25(40):27083-27093.
PMID: 37801041
This work aims to elucidate the dependence of the excited-state lifetime of adenine and adenosine on temperature. So far, it has been experimentally shown that while adenine's lifetime is unaffected...
8.
Dalton J, Toldo J, Allais F, Barbatti M, Stavros V
J Phys Chem Lett
. 2023 Sep;
14(39):8771-8779.
PMID: 37738948
Two model biomimetic systems, ethyl sinapate (ES) and its symmetrical analogue, diethyl 2-(4-hydroxy-3,5-dimethoxybenzylidene)malonate (or diethyl sinapate, DES), are stripped to their core fundamentals through gas-phase spectroscopy to understand the underlying...
9.
do Casal M, Toldo J, Pinheiro Jr M, Barbatti M
Open Res Eur
. 2023 Aug;
1:49.
PMID: 37645211
In the Baeck-An (BA) approximation, first-order nonadiabatic coupling vectors are given in terms of adiabatic energy gaps and the second derivative of the gaps with respect to the coupling coordinate....
10.
do Casal M, Toldo J, Barbatti M, Plasser F
Chem Sci
. 2023 Apr;
14(15):4012-4026.
PMID: 37063798
Electronic states with partial or complete doubly excited character play a crucial role in many areas, such as singlet fission and non-linear optical spectroscopy. Although doubly excited states have been...