Johnatan Mucelini

Machine Learning Prediction of Nine Molecular Properties Based on the SMILES Representation of the QM9 Quantum-Chemistry Dataset

Gabriel A. Pinheiro, Johnatan Mucelini, Marinalva Dias Soares et al. · The Journal of Physical Chemistry A · 2020 · 120 citations

Qm9 Quantum-chemistry Dataset, Engineering, Machine Learning +21

<i>Ab Initio</i> Insights into the Formation Mechanisms of 55-Atom Pt-Based Core–Shell Nanoalloys

Paulo C. D. Mendes, Stella G. Justo, Johnatan Mucelini et al. · The Journal of Physical Chemistry C · 2019 · 33 citations

Engineering, Nanocluster, Core–shell Pttm +16

Methane dehydrogenation on 3d 13-atom transition-metal clusters: A density functional theory investigation combined with Spearman rank correlation analysis

Karla F. Andriani, Johnatan Mucelini, Juarez L. F. Da Silva · Fuel · 2020 · 28 citations

Cluster Science, Engineering, Physics +10

<i>Ab initio</i> investigation of the formation of ZrO2-like structures upon the adsorption of Zr<i>n</i> on the CeO2(111) surface

Johnatan Mucelini, Rafael Costa-Amaral, Yohanna Seminovski et al. · The Journal of Chemical Physics · 2018 · 13 citations · Full text

Understanding the interplay between π–π and cation–π interactions in [janusene–Ag]⁺ host–guest systems: a computational approach

Johnatan Mucelini, Ina Østrøm, Alexandre O. Ortolan et al. · Dalton Transactions · 2019 · 12 citations