Yuri Alexandre Aoto

5PUBLICATIONS
9CO-AUTHORS
Main group metal chemistryCharacterisation of biological macromoleculesMathematical aspects of general relativityTheoretical quantum chemistry
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Publications (5)

|Nov 20, 2023
Multi-d-Occupancy as an Alternative Definition for the Double d-Shell Effect.

Matheus Morato F de Moraes, Yuri Alexandre Aoto

|Apr 28, 2023
Diving into the optoelectronic properties of Cu(II) and Zn(II) curcumin complexes: a DFT and wavefunction benchmark.

Raissa Lohanna Gomes Quintino Corrêa, Matheus Morato Ferreira de Moraes, Kléber Thiago de Oliveira

|Sep 01, 2022
Geometric interpretation for coupled-cluster theory. A comparison of accuracy with the corresponding configuration interaction model.

Yuri Alexandre Aoto

|Oct 19, 2020
Can one use the electronic absorption spectra of metalloporphyrins to benchmark electronic structure methods? A case study on the cobalt porphyrin.

Jhonathan Rosa de Souza, Matheus Morato F de Moraes, Yuri Alexandre Aoto

|Feb 23, 2019
Perturbation Expansion of Internally Contracted Coupled-Cluster Theory up to Third Order.

Yuri Alexandre Aoto, Arne Bargholz, Daniel Kats

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Frequent Collaborators

3 joint publications

Matheus Morato Ferreira de Moraes

2 joint publications

Paula Homem-de-Mello

1 joint publications

Daniel Kats

1 joint publications

Hans-Joachim Werner