2026
78
Unsaturated C6 Fatty Acid Methyl Esters as Reference Molecules for Biodiesel: Kinetics of H-Atom Abstraction and Addition
J. L. Nascimento, A. Fernandez-Ramos, T. V. Alves
Physical Chemistry Chemical Physics, in press (2026).
77
Surface curvature effects in neutral and protonated water clusters: insights from DFT and energy decomposition analysis
M. H. Queiroz, B. Sampaio, C. Nieuwland, C. F. Guerra, T. V. Alves, R. Rivelino
Physical Chemistry Chemical Physics, in press (2026).
76
Pressure-Dependent Kinetics of the NH3 + OH Reaction from Cryogenic to High Temperatures
D. Moura, J. L. Nascimento, V. H. Menezes da Silva, T. V. Alves
Computational and Theoretical Chemistry, 1261, 115824 (2026).
75
Photophysical pathways of 2,4-dithiothymine in microhydrated clusters: insights from theory into UVA activity
M. H. Queiroz, T. V. Alves, R. Rivelino
Computational and Theoretical Chemistry, 1260, 115816 (2026).
74
On the Aromaticity in Cyclic H-Bonded Chains: Linking HOMIA Descriptor to Molecular Properties
M. H. Queiroz, S. A. Santos, T. V. Alves, R. Rivelino
ChemistrySelect, 11, e04083 (2026).
73
Portable SERS Detection of Dipicolinic Acid with AgAu Nanostructures
F. G. da Silva, S. Wang, P. Talebi, E. Lemetti, T. V. Alves, M. Kuula, H. Hakulinen, M. Vainio, P. H. C. Camargo
ACS Applied Nano Materials, 9, 675 (2026).
72
Exploring the elusive catalytic role of water in the OH + furan reaction
J. L. Nascimento, D. Moura, E. Santana, V. H. Menezes da Silva, T. V. Alves
Computational and Theoretical Chemistry, 1256, 115616 (2026).
71
Electrochemical water oxidation mechanisms involving macrocyclic copper(II) complexes: Ligand ring size effects on catalytic cycles
J. P. C. S. Neves, R. Rivelino, T. V. Alves, V. H. Menezes da Silva
ChemPhysChem, 27, e202500637 (2026).
70
Theoretical Screening of the Water Oxidation Electrocatalytic Cycle Promoted by Single-Site Macrocyclic Copper(II) Complexes: Unraveling the Role of HPO42- Anion under Neutral Conditions
J. P. C. S. Neves, J. L. Nascimento, B. S. Sampaio, R. Rivelino, T. V. Alves, V. H. Menezes da Silva
ACS Organic & Inorganic Au, 6, 53 (2026).