Differences in the torsional anharmonicity between reactant and transition state: the case of 3-butenal + H abstraction reactions

M. O. Passos, I. A. Lins, M. F. Venancio, T. V. Alves

Phys. Chem. Chem. Phys., 23 25414 (2021).
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Gold-Rhodium nanoflowers for the plasmon enhanced hydrogen evolution reaction under visible light

M. P. S. Rodrigues, A H. B. Dourado, L. O. Cutolo, L. S. Parreira, T. V. Alves, T. J. A. Slater, S. J. H, P. H. C. Camargo, S. I. C. Torresi

ACS Catalysis, 11 13543 (2021).
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A theoretical screening of the O-H---π interaction between water and benzene using density-functional approaches: effects of nonlocal exchange and long-range dispersion corrections in the true minimum

M. H. Queiroz, T. V. Alves, R. Rivelino

Computational and Theoretical Chemistry, 1206 113464 (2021).
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Shinning rings: The effect of the rigid core and benzazole heterocycles on the properties of luminescent calamitic liquid crystals

A, R. C. Hinojosa, S. P. de Souza, T. V. Alves, I. T. O. dos Santos, E. O. Silva, I. L. Gonçalves, A. A. Merlo, C. F; Junkesc, I. H. Bechtold, A. A.Vieira

J. Mol. Liq. , 338 116614 (2021).
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Atomic-Precision Tailoring of Au-Ag Core-shell Composite Nanoparticles for Direct Electrochemical-Plasmonic Hydrogen Evolution in Water Splitting

J. Mo, E. C. M. Barbosa, S. Wu, Y. Li, Y. Sun, W. Xiang, T. Li, S. Pu, A. Robertson, T.-S. Wu, Y.-L. Soo, T. V. Alves, P. H. C. Camargo, W. Kuo, S. C. E. Tsang

Advanced Functional Materials, 31 2102517 (2021).
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Electronic states and spectroscopic parameters of the iodocarbyne cation, CI+

F. F. de Melo, A. R. Belinassi, M. O. Passos, F. R. Ornellas, T. V. Alves

Chem. Phys. Lett., 771 138514 (2021).
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Synergistic Effect between CeO2 Nanowires and Gold NPs over the Activity and Selectivity in the Oxidation of Thioanisole

T. F. Rosado, M. P. Teixeira, L. C. Moraes, L. A. da Silva, A. V. Pontes-Silva, J. G. Taylor, I. C. de Freitas, D. de Oliveira, J. Gardener, G. Solorzano, T. V. Alves, M. F. Venancio, M. I. P. da Silva, E. Brocchi, H. V. Fajardo, A. G. M. da Silva

Applied Catalysis A: General, 613 118010 (2021).
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