2025
Plasmon-enhanced CO2 methanation over Au@Ru/TiO2 via nanoscale control of Ru shell thickness
F. Rathmann, I. Abdelsalam, S. Wang, M. M. Kubik, S. Frindy, T. V. Alves, M. Chundak, M. Ritala, A. Reznichenko, M. Reinikainen, P. H. C. Camargo
Angewandte Chemie International Edition, in press (2025).
Cooperative and stabilization effects in hydrogen-bond chains of microhydrated thymine: a QTAIM and TD-DFT study
M. H. Queiroz, T. V. Alves, R. Rivelino
Chemical Physics, in press (2025).
Computational Investigation of the Lewis Acid-Catalyzed Diels-Alder Reaction between Carbon Dioxide and Furan
J. L. Nascimento, B. S. Sampaio, M. H. Queiroz, V. H. Menezes da Silva, T. V. Alves, A. G. S. de Oliveira-Filho
Theoretical Chemistry Accounts, 144, 74 (2025).
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, in press (2025).
Intramolecular Heck-Matsuda Reaction for the Asymmetric Synthesis of a spiro-benzofuran using Chiral N,N-Ligands: Experimental and Theoretical Insights into the Catalytic Cycle and Enantioselectivity
V. H. Menezes da Silva, E. L. S. de Souza,B. S. Sampaio, J. P. C. S. Neves, J. L. Nascimento, T, V. Alves, A. A. C. Braga, C. R. D. Correia
J. Mol. Struct., 1346, 143188 (2025).
Revisiting the mechanism of the CH3C2H + CN reaction on Titan's atmosphere conditions
D. Moura, A. S. L Junior, J. L. Nascimento, T. V. Alves
Chemistry Select, 11, e02979 (2025).
Investigating the atmospheric fate of the ozonolysis of 3-methyl-2-butene-1-thiol
J. L. Nascimento, L. Tanajura, T. V. Alves
ACS ES&T Air, 2, 1339 (2025).
Comprehensive Oxidation Mechanism of n-Butylamine and 2-Butylamine by H and OH Radicals: Insights into Reactivity
J. L. Nascimento, T. V. Alves, Y. Shang
J. Phys. Chem. A, 129, 5107 (2025).
Reply to the Comment on "Influence of solvents and halogenation on ESIPT of benzimidazole derivatives for designing turn-on fluorescence probes"
M. H. Queiroz, J. L. Nascimento, T. V. Alves, R. Rivelino, S. Canuto
ACS Omega, 10, 22302 (2025).
Thermal rate constants and product distribution for the reaction of 3-penten-2-one with hydrogen atom
M. O. Passos, T. V. Alves
Chem. Phys. Lett., 877, 142145 (2025).
Theoretical and experimental insights into the chemiresistive sensing response of graphene quantum dots: the role of oxygen functional groups
B. S. Sampaio, M. Facure, R. Andre, D. Correa, T. V. Alves, L. A. Mercante
ACS Omega, 10, 7831 (2025).
Gas-phase and water-mediated mechanisms for the OCS + OH reaction
J. L. Nascimento, T. V. Alves
Phys. Chem. Chem. Phys, 27, 3748 (2025).