| 1 |
Contrasting Structure and Bonding of a Copper-Rich and a Zinc-Rich Intermetalloid Cu/Zn Cluster
Schutz M, Muhr M, Freitag K, Gemel C, Kahlal S, Saillard JY, Da Silva ACH, Da Silva JLF, Fassler TF, Fischer RA
Inorganic Chemistry, 59(13), 9077, 2020 |
| 2 |
Machine Learning Prediction of Nine Molecular Properties Based on the SMILES Representation of the QM9 Quantum-Chemistry Dataset
Pinheiro GA, Mucelini J, Soares MD, Prati RC, Da Silva JLF, Quiles MG
Journal of Physical Chemistry A, 124(47), 9854, 2020 |
| 3 |
Interfacial Structures in Ionic Liquid-Based Ternary Electrolytes for Lithium-Metal Batteries: A Molecular Dynamics Study
Lourenco TC, Ebadi M, Brandell D, Da Silva JLF, Costa LT
Journal of Physical Chemistry B, 124(43), 9648, 2020 |
| 4 |
Ethanol and Water Adsorption on Transition-Metal 13-Atom Clusters: A Density Functional Theory Investigation within van der Waals Corrections
Zibordi-Besse L, Tereshchuk P, Chaves AS, Da Silva JLF
Journal of Physical Chemistry A, 120(21), 4231, 2016 |
| 5 |
Ethanol and Water Adsorption on Transition-Metal 13-Atom Clusters: A Density Functional Theory Investigation within van der Waals Corrections
Zibordi-Besse L, Tereshchuk P, Chaves AS, Da Silva JLF
Journal of Physical Chemistry A, 120(24), 4231, 2016 |
| 6 |
Theoretical Investigation of the Adsorption Properties of CO, NO, and OH on Monometallic and Bimetallic 13-Atom Clusters: The Example of Cu-13, Pt7Cu6, and Pt-13
Chaves AS, Piotrowski MJ, Guedes-Sobrinho D, Da Silva JLF
Journal of Physical Chemistry A, 119(47), 11565, 2015 |
| 7 |
The Role of Charge States in the Atomic Structure of Cu-n and Pt-n (n=2-14 atoms) Clusters: A DFT Investigation
Chaves AS, Rondina GG, Piotrowski MJ, Tereshchuk P, Da Silva JLF
Journal of Physical Chemistry A, 118(45), 10813, 2014 |
