Publications

2024

53

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., in press (2024).
Publisher's website
52

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., in press (2024).
Publisher's website
51

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).
Publisher's website
50

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).
Publisher's website
49

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).
Publisher's website
48

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).
Publisher's website
47

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).
Publisher's website
46

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).
Publisher's website
45

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).
Publisher's website