2024
Evaluating interaction energy versus electron density relationships to estimate inter and intramolecular H-bonding
M. Queiroz, S. A. Santos, J. L. Nascimento, B. S. Sampaio, T. V. Alves, R. Rivelino
Journal of Molecular Graphics and Modelling, in press (2024).
Relative humidity and altitude effects on the water-mediated hydrogen abstraction reaction of furan by hydroxyl radical
J. L. Nascimento, B. S. Sampaio, M. Queiroz, R. Rivelino, T. V. Alves
ACS Earth and Space Chemistry, in press (2024).
Au@AuPd core-alloyed shell nanoparticles for enhanced electrocatalytic activity and selectivity under visible light excitation
K. N. da Silva, S. Shetty, S. Sullivan-Allsop, R. Cai, S. Wang, J. Quiroz, M. Chundak, H. L. S. dos Santos, I. Abdelsalam, F. E. Oropeza, V. A. O'Shea, N. Heikkinen, E. Sitta, T. V. Alves, M. Ritala, W. Huo, T. J. A. Slater, S. J. Haigh, P. H.C. Camargo
ACS Nano, 18, 24391 (2024).
Click for light: Synthesis of bent (benzothiadiazolyl)triazole luminescent liquid crystals via click chemistry
R. O. Costa, T. V. Alves, M. H. Queiroz, F. A. C. Junior, I. H. Bechtold, E. Westphal, A. A. Vieira
J. Mol. Liq., 409, 125425 (2024).
A theoretical study of the photochemistry of 1,3-cyclopentadiene and its cyano derivatives bound to a water dimer: Assessing reactivity of ionized clusters and possible photoproducts
M. H. Queiroz, S. A. Santos, B. S. Sampaio, T. V. Alves, R. Rivelino
Spectrochim. Acta A Mol. Biomol. Spectrosc., 320, 124637 (2024).
Path-dependent thermal rate constants: the case of the combustion reaction between methyl hexanoate and hydrogen atom
J. L. Nascimento, T. V. Alves
Comput. Theor. Chem., 1238, 114698(2024).
The interplay between the temperature and pressure on the reaction pathways of the prenol oxidation by hydroxyl radicals
J. L. Nascimento, A. S. L Junior, T. V. Alves
ChemPhysChem, in press (2024).
Photochemistry of micro-solvated benzonitrile complexes with water/ammonia bordering on the formation of icy grains
M. H. Queiroz, J. L. Nascimento, T. V. Alves, R. Rivelino
Chem. Phys., 582, 112293 (2024).
Influence of solvents and halogenation on ESIPT of benzimidazole derivatives for designing turn-on fluorescence probes
M. H. Queiroz, T. V. Alves, R. Rivelino, S. Canuto
ACS Omega, 20, 22102 (2024).
Predicting pressure-dependent rate constants for the furan + OH reactions and their impact under tropospheric conditions
J. L. Nascimento, M. H. Queiroz, R. Rivelino, T. V. Alves
J. Chem. Phys., 160, 114302 (2024).
A deeper insight into the supramolecular sctivation of oxidative addition reactions involving pincer-rhodium (I) complexes
T. V. Alves, E. Peris, I. Fernandez
ChemPhysChem, 25, e202400022 (2024).
From the single-structure to the multipath approaches: The reactions of the 2-pentanone with H radical
M. O. Passos, T. V. Alves
Int. J. Quantum Chem., 124, e27347 (2024).
Surface Plasmon Resonance (SPR)-Triggered Polarization of BaTiO3 Surface on Ag Nanocubes Improves Photocatalysis
Yanying Ma, Xiaoyun Liu, Yujiao Xu, T. V. Alves, Mai Li, Chunrui Wang, P. Camargo, Jiale Wang
ChemPhotoChem, 8, e20230020 (2024).