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Yuri Alexande Aoto

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2013 Universidade de São Paulo (USP), São Paulo, São Paulo, Brazil 
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"Yuri Aoto"
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Fernando R. Ornellas grad student 2013 Universidade de São Paulo

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de Moraes MMF, Aoto YA. (2023) Multi--Occupancy as an Alternative Definition for the Double -Shell Effect. The Journal of Physical Chemistry. A
Souza JR, Curutchet C, Aoto YA, et al. (2023) Benchmarking DFT functionals for photophysics of pyranoflavylium cations. Journal of Molecular Graphics & Modelling. 122: 108460
de Souza JR, de Moraes MMF, Aoto YA, et al. (2020) Can one use the electronic absorption spectra of metalloporphyrins to benchmark electronic structure methods? A case study on the cobalt porphyrin. Physical Chemistry Chemical Physics : Pccp. 22: 23886-23898
Aoto YA, Bargholz A, Kats D, et al. (2019) Perturbation Expansion of Internally Contracted Coupled-Cluster Theory up to Third Order. Journal of Chemical Theory and Computation
Aoto YA, Köhn A. (2018) Revisiting the F + HCl → HF + Cl reaction using a multireference coupled-cluster method. Physical Chemistry Chemical Physics : Pccp. 18: 30241-30253
Aoto YA, de Lima Batista AP, Köhn A, et al. (2017) How To Arrive at Accurate Benchmark Values for Transition Metal Compounds: Computation or Experiment? Journal of Chemical Theory and Computation. 13: 5291-5316
de Oliveira-Filho AG, Aoto YA, Ornellas FR. (2011) Full-dimensional analytical ab initio potential energy surface of the ground state of HOI. The Journal of Chemical Physics. 135: 044308
Aoto YA, de Oliveira-Filho AG, Franzreb K, et al. (2011) Metastable BrO2+ and NBr2+ molecules in the gas phase. The Journal of Chemical Physics. 134: 104303
de Oliveira-Filho AG, Aoto YA, Ornellas FR. (2009) New molecular species of potential interest to atmospheric chemistry: isomers on the [H, S2, Br] potential energy surface. The Journal of Physical Chemistry. A. 113: 1397-402
Aoto YA, de Oliveira-Filho AGS, Ornellas FR. (2009) Isomers on the [H, S2, Cl] potential energy surface: A high level investigation Journal of Molecular Structure: Theochem. 902: 90-95
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