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Marcos Gonçalves Quiles

15PUBLICATIONS

27CO-AUTHORS

Computational chemistryChemical and thermal processes in energy and combustionMetal cluster chemistryNew Zealand literature (excl. Māori literature)Catalysis and mechanisms of reactions

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Publications (15)

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|Feb 16, 2026

Cut-SOAP: A Machine Learning Descriptor for Rapid Screening of Molecular Adsorption Energetics.

Felipe V Calderan, Karla F Andriani, Priscilla Felício-Sousa

|Jan 26, 2026

Optimizing Molecular Descriptors for Reliable Adsorption Energy Prediction on Transition Metal Nanoclusters.

Lucas B Pena, Felipe V Calderan, Priscilla Felício-Sousa

|Sep 29, 2025

Exploring the Adsorption Properties of Small Molecules on CeZr-Based Nanoclusters.

Raquel C Bezerra, Felipe V Calderan, Priscilla Felício-Sousa

|Feb 17, 2025

Effects of Dopants on the Structural, Electronic, and Energetic Properties of (ZrO<sub>2</sub>)<sub>16</sub> Clusters.

Priscilla Felício-Sousa, Karla F Andriani, Marcos G Quiles

|Jan 23, 2025

A living library concept to capture the dynamics and reactivity of mixed-metal clusters for catalysis.

Raphael Bühler, Max Schütz, Karla F Andriani

|Feb 12, 2024

The Impact of Interdisciplinary, Gender and Geographic Distributions on the Citation Patterns of the Journal of Chemical Information and Modeling.

Ronaldo C Prati, Bruno S M Rodrigues, Iberis Aragão

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Frequent Collaborators

14 joint publications

Juarez L F Da Silva

4 joint publications

Karla F Andriani

3 joint publications

Priscilla Felício-Sousa

2 joint publications

Ronaldo C Prati

2 joint publications

Gabriel A Pinheiro

2 joint publications

Tuanan C Lourenço

2 joint publications

João Paulo A de Mendonça

1 joint publications

Krys E A Batista

1 joint publications

André F Oliveira

1 joint publications

Marcelo Demarzo

Frequent Collaborators

14 joint publications

Juarez L F Da Silva

4 joint publications

Karla F Andriani

3 joint publications

Priscilla Felício-Sousa

2 joint publications

Ronaldo C Prati

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