Articles with public access mandates - Elizete VenturaLearn more
Available somewhere: 7
The generality of the GUGA MRCI approach in COLUMBUS for treating complex quantum chemistry
H Lischka, R Shepard, T Müller, PG Szalay, RM Pitzer, AJA Aquino, ...
The Journal of Chemical Physics 152 (13), 2020
Mandates: US National Science Foundation, US Department of Energy, Agence Nationale de …
Challenges encountered during development of Mn porphyrin-based, potent redox-active drug and superoxide dismutase mimic, MnTnBuOE-2-PyP5+, and its alkoxyalkyl analogues
Z Rajic, A Tovmasyan, OL De Santana, IN Peixoto, I Spasojevic, ...
Journal of Inorganic Biochemistry 169, 50-60, 2017
Mandates: US National Institutes of Health
Non-Kasha fluorescence of pyrene emerges from a dynamic equilibrium between excited states
G Braun, I Borges, AJA Aquino, H Lischka, F Plasser, SA Do Monte, ...
The Journal of Chemical Physics 157 (15), 2022
Mandates: US Department of Energy, European Commission
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
Mandates: European Commission
Photoinduced formation of h-bonded ion pair in hcfc-133a
G Pereira Rodrigues, TM Lopes de Lima, RB de Andrade, E Ventura, ...
The Journal of Physical Chemistry A 123 (10), 1953-1961, 2019
Mandates: Agence Nationale de la Recherche
Modeling the heating and cooling of a chromophore after photoexcitation
E Ventura, SA Do Monte, MT Do Casal, M Pinheiro, JM Toldo, M Barbatti
Physical Chemistry Chemical Physics 24 (16), 9403-9410, 2022
Mandates: European Commission
A comparative multi‐reference configuration interaction study of the low‐lying states of two thione isomers of thiophenol
FB Lima, G Pereira Rodrigues, JR de Lucena Junior, E Ventura, R Fausto, ...
International Journal of Quantum Chemistry 120 (16), e26263, 2020
Mandates: Fundação para a Ciência e a Tecnologia, Portugal
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