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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)

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|Nov 20, 2023

Multi-<i>d</i>-Occupancy as an Alternative Definition for the Double <i>d</i>-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

1 joint publications

Andreas Köhn

1 joint publications

Jhonathan Rosa de Souza

1 joint publications

Raissa Lohanna Gomes Quintino Corrêa

1 joint publications

Kléber Thiago de Oliveira

1 joint publications

Maurício Domingues Coutinho-Neto

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

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