2019 - 2008
Molecular 5,8-π-Extended Quinoxaline Derivatives as Chromophores for Photoluminescence Applications
L. O. Aguiara, A. S. L. Junior, I. H. Bechtoldb, S. F. Curcio, T. Cazatic, T. V. Alves, A. A. Vieira
J. Mol. Liq., 296 1117632 (2019).Controlling Reaction Selectivity over Hybrid Plasmonic Nanocatalysts
J. Quiroz, E. C. M. Barbosa, T. P. Araujo, J. L. Fiorio, Yi-Chi Wang, Yi-Chao Zou, Tong Mou, T. V. Alves, D. C. de Oliveira, Bin Wang, S. J. Haigh, L. M. Rossi, P. H. C. Camargo
Nano Letters, 18, 7289 (2018).Multipath VTST rate constants for D + methyl formate reactions: Importance of torsional anharmonicity and conformational flexibility for combustion chemistry
O. Roberto-Neto, T. V. Alves
Chem. Phys. Lett., 711, 132 (2018).Addressing the Effects of Size-dependent Absorption, Scattering, and Near-field Enhancements in Plasmonic Catalysis
R. S. Geonmonond, A. G. M. da Silva, T. S. Rodrigues, R. A. Ando, T. V. Alves, P. H. C. Camargo
ChemCatChem, 10, 3447 (2018).Anharmonicity of coupled torsions: the extended two-dimensional torsion method and its use to assess more approximate methods
Luis Simón-Carballido, J. L. Bao, T. V. Alves, R. Meana-Pañeda, D. G. Truhlar, Antonio Fernández-Ramos
J. Chem. Theory Comput. 13, 3478 (2017).Metastability of the low-lying electronic states of CBr2+: A CASSCF/MRCI study
I. A. Lins, A. R. Belinassi, F. R. Ornellas, T. V. Alves
Chem. Phys. Lett. 682, 108 (2017).On the effect of native SiO2 on Si over the SPR-mediated photocatalytic activities of Au and Ag nanoparticles
J. Wang, I. Freitas, T. V. Alves, R. A. Ando, Z. Fang, P. H. C. Camargo
Chem. Eur. J. 23, 7185 (2017).Electronic states and spectroscopic parameters of selenium monoiodide, SeI: A theoretical contribution
A. R. Belinassi, T. V. Alves, F. R. Ornellas
Chem. Phys. Lett. 671, 78 (2017).Plasmonic nanorattles as next-generation catalysts for surface plasmon resonance-mediated oxidations promoted by activated oxygen
A. G. M. Silva, T. S. Rodrigues, V. G. Correia, T. V. Alves, R. S. Alves, R. A. Ando, F. R. Ornellas, J. Wang, L. H. Andrade and P. H. C. Camargo
Angew. Chem. Int. Ed. 55, 7111 (2016).Hindered rotor tunneling splittings: an application of the two-dimensional non-separable method to benzyl alcohol and two of its fluorine derivatives
T. V. Alves, L. Simón-Carballido, F. R. Ornellas and A. Fernández-Ramos
Phys. Chem. Chem. Phys. 18, 8945 (2016).Kinetic isotope effects in multipath VTST: Application to a hydrogen abstraction reaction
L. Simón-Carballido, T. V. Alves, A. Dybala-Defratyka and A. Fernández-Ramos
J. Phys. Chem. B 120, 1911 (2016).Theoretical design and experimental realization of quasi single electron enhancement in plasmonic catalysis
J. Wang, T. V. Alves,C. B. de Aquino, J. C. Pieretti, S. H. Domingues, R. A. Ando, F. R. Ornellas, R. S. Alves, R. A. Ando, F. R. Ornellas, P. H. C. Camargo
Angew. Chem. Int. Ed. 127, 14635 (2015).The fault in their shapes: investigating the surface-plasmon-resonance-mediated catalytic activities of silver quasi-spheres, cubes, triangular prisms, and wires
A. G. M. da Silva, T. S. Rodrigues, J. Wang, L. K. Yamada, T. V. Alves, F. R. Ornellas, R. A. Ando, P. H. C. Camargo
Langmuir 31, 10272 (2015).The low-lying electronic states of BeI: Accounting for spin-orbit effects on the energetic profile characterization and molecular properties
J. C. B. de Lima, T. V. Alves, A. G. S. de Oliveira-Filho, F. R. Ornellas
Chem. Phys. Lett. 623, 22 (2015).Direct dynamics investigation of the reaction S(3P) + CH4 → CH3 + SH(2Π)
T. V. Alves, O. Roberto-Neto, F. R. Ornellas
Chem. Phys. Lett. 591, 103 (2014).Exploring the electronic states of iodocarbyne: a theoretical contribution
T. V. Alves, F. R. Ornellas
Phys. Chem. Chem. Phys. 16, 9530 (2014).Triangular metal nanoprisms of Ag, Au, and Cu: modeling the influence of size, composition, and excitation wavelength on the optical properties
W. Hermoso, T. V. Alves, C. C. S. de Oliveira, E. G. Moriya F. R. Ornellas, P. H. C. Camargo
Chem. Phys. 423, 142 (2013).On the optical properties of copper nanocubes as a function of the edge length as modeled by the discrete dipole approximation
T. V. Alves, W. Hermoso, F. R. Ornellas, P. H. C. Camargo
Chem. Phys. Lett. 544, 64 (2012).Comparative study on the far-field spectra and near-field amplitudes for silver and gold nanocubes irradiated at 514, 633 and 785 nm as a function of the edge length
W. Hermoso, T. V. Alves, F. R. Ornellas, P. H. C. Camargo
Eur. J. Phys. D 66, 1 (2012).A CASSCF/MRCI study of the low-lying electronic states of the BeS molecule
A. G. S. de Oliveira-Filho, T. V. Alves, V. W. Ribas, L. F. Ferrao, O. Roberto-Neto, F. B. C. Machado, F. R. Ornellas
Int. J. Quantum Chem. 111, 7 (2011).Calcium-containing diatomic dications in the gas phase
T. V. Alves, W. Hermoso, K. Franzreb, F. R. Ornellas
Phys. Chem. Chem. Phys. 13, 41 (2011).The low-lying electronic states of BeAs: a first principles characterization
T. V. Alves, W. Hermoso, F. R. Ornellas
Theor. Chem. Acc. 127, 383 (2010).Structural and spectroscopic properties of the diazocarbene radical (CNN) and its ions CNN+ and CNN-: a high-level theoretical investigation
T. V. Alves, Y. A. Aoto, F. R. Ornellas
Mol. Phys. 108, 2061 (2010).The reaction of methyl radical with nitrogen atom on the triplet potential energy surface: A CCSD (T)/CBS characterization
T. V. Alves, A. G. S. de Oliveira Filho, F. R. Ornellas
Chem. Phys. Lett. 457, 36 (2008).