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do Casal, Mariana T.
66
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Online (66)
Mediatypes
Articles (Online) (18)
OpenAccess-fulltext (48)
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1
First-Principles Calculations of Excited-State Decay Rate C..:
do Casal, Mariana T.
;
Veys, Koen
;
Bousquet, Manon H. E.
..
The Journal of Physical Chemistry A. 127 (2023) 48 - p. 10033-10053 , 2023
Link:
https://doi.org/10.1021/..
?
2
Surface hopping modeling of charge and energy transfer in a..:
Toldo, Josene M.
;
do Casal, Mariana T.
;
Ventura, Elizete
..
Physical Chemistry Chemical Physics. 25 (2023) 12 - p. 8293-8316 , 2023
Link:
https://doi.org/10.1039/..
?
3
Classification of doubly excited molecular electronic state:
do Casal, Mariana T.
;
Toldo, Josene M.
;
Barbatti, Mario
.
Chemical Science. 14 (2023) 15 - p. 4012-4026 , 2023
Link:
https://doi.org/10.1039/..
?
4
Correction: Modeling the heating and cooling of a chromopho..:
Ventura, Elizete
;
do Monte, Silmar Andrade
;
do Casal, Mariana T.
...
Physical Chemistry Chemical Physics. 24 (2022) 25 - p. 15604-15604 , 2022
Link:
https://doi.org/10.1039/..
?
5
Direct structural observation of ultrafast photoisomerizati..:
Abiola, Temitope T.
;
Toldo, Josene M.
;
do Casal, Mariana T.
...
Communications Chemistry. 5 (2022) 1 - p. , 2022
Link:
https://doi.org/10.1038/..
?
6
Using diketopyrrolopyrroles to stabilize double excitation ..:
do Casal, Mariana T.
;
Toldo, Josene M.
;
Plasser, Felix
.
Physical Chemistry Chemical Physics. 24 (2022) 38 - p. 23279-23288 , 2022
Link:
https://doi.org/10.1039/..
?
7
Probing the electronic structure and photophysics of thioph..:
Polak, Daniel W.
;
do Casal, Mariana T.
;
Toldo, Josene M.
...
Physical Chemistry Chemical Physics. 24 (2022) 34 - p. 20138-20151 , 2022
Link:
https://doi.org/10.1039/..
?
8
Excitonic and charge transfer interactions in tetracene sta..:
C. A. Valente, Daniel
;
do Casal, Mariana T.
;
Barbatti, Mario
...
The Journal of Chemical Physics. 154 (2021) 4 - p. , 2021
Link:
https://doi.org/10.1063/..
?
9
Mechanistic Aspects of the Photophysics of UVA Filters Base..:
Toldo, Josene M.
;
do Casal, Mariana T.
;
Barbatti, Mario
The Journal of Physical Chemistry A. 125 (2021) 25 - p. 5499-5508 , 2021
Link:
https://doi.org/10.1021/..
?
10
Impact of low-cost methods in the description of excimer an..:
do Casal, Mariana T.
;
Cardozo, Thiago M.
Theoretical Chemistry Accounts. 139 (2020) 8 - p. , 2020
Link:
https://doi.org/10.1007/..
?
11
New Generation UV-A Filters: Understanding Their Photodynam..:
Abiola, Temitope T.
;
Rodrigues, Natércia d. N.
;
Ho, Casey
...
The Journal of Physical Chemistry Letters. 12 (2020) 1 - p. 337-344 , 2020
Link:
https://doi.org/10.1021/..
?
12
Design and Synthesis of Asymmetric Au(III) Complexes Exhibi..:
Kuo, Hsin‐Hung
;
Kumar, Sudhir
;
Omongos, Rashen Lou
...
Advanced Optical Materials. 11 (2023) 12 - p. , 2023
Link:
https://doi.org/10.1002/..
?
13
Fewest switches surface hopping with Baeck-An couplings:
T. do Casal, Mariana
;
Toldo, Josene M.
;
Pinheiro Jr, Max
.
Open Research Europe. 1 (2022) - p. 49 , 2022
Link:
https://doi.org/10.12688..
?
14
Modeling the heating and cooling of a chromophore after pho..:
Ventura, Elizete
;
Andrade do Monte, Silmar
;
T. do Casal, Mariana
...
Physical Chemistry Chemical Physics. 24 (2022) 16 - p. 9403-9410 , 2022
Link:
https://doi.org/10.1039/..
?
15
Fewest switches surface hopping with Baeck-An couplings:
T. do Casal, Mariana
;
Toldo, Josene M.
;
Pinheiro Jr, Max
.
Open Research Europe. 1 (2021) - p. 49 , 2021
Link:
https://doi.org/10.12688..
1-15