| Year |
Citation |
Score |
| 2020 |
Passos MO, Lins IA, Alves TV. Rate coefficients and product branching ratios for (E)-2-butenal + H reactions. Physical Chemistry Chemical Physics : Pccp. 22: 14246-14254. PMID 32555895 DOI: 10.1039/D0Cp02142C |
0.338 |
|
| 2020 |
de Freitas IC, Parreira LS, Barbosa ECM, Novaes BA, Mou T, Alves TV, Quiroz J, Wang YC, Slater TJ, Thomas A, Wang B, Haigh SJ, Camargo PHC. Design-controlled synthesis of IrO sub-monolayers on Au nanoflowers: marrying plasmonic and electrocatalytic properties. Nanoscale. PMID 32319490 DOI: 10.1039/D0Nr01875A |
0.326 |
|
| 2019 |
de Carvalho EFV, Vicentini GD, Alves TV, Roberto-Neto O. Variational transition state theory rate constants and H/D kinetic isotope effects for CH + CH OCOH reactions. Journal of Computational Chemistry. PMID 31639231 DOI: 10.1002/Jcc.26092 |
0.63 |
|
| 2019 |
Aguiar LdO, Junior AS, Bechtold IH, Curcio SF, Cazati T, Alves TV, Vieira AA. Molecular 5,8-π-extended quinoxaline derivatives as chromophores for photoluminescence applications Journal of Molecular Liquids. 296: 111763. DOI: 10.1016/J.Molliq.2019.111763 |
0.4 |
|
| 2018 |
Roberto-Neto O, Alves TV. Multipath VTST rate constants for D + methyl formate reactions: Importance of torsional anharmonicity and conformational flexibility for combustion chemistry Chemical Physics Letters. 711: 132-137. DOI: 10.1016/J.Cplett.2018.09.014 |
0.64 |
|
| 2017 |
Lins IA, Belinassi AR, Ornellas FR, Alves TV. Metastability of the low-lying electronic states of CBr2+: A CASSCF/MRCI study Chemical Physics Letters. 682: 108-114. DOI: 10.1016/J.Cplett.2017.05.061 |
0.739 |
|
| 2017 |
Belinassi AR, Alves TV, Ornellas FR. Electronic states and spectroscopic parameters of selenium monoiodide, SeI: A theoretical contribution Chemical Physics Letters. 671: 78-83. DOI: 10.1016/J.Cplett.2017.01.013 |
0.712 |
|
| 2016 |
da Silva AG, Rodrigues TS, Correia VG, Alves TV, Alves RS, Ando RA, Ornellas FR, Wang J, Andrade LH, Camargo PH. Plasmonic Nanorattles as Next-Generation Catalysts for Surface Plasmon Resonance-Mediated Oxidations Promoted by Activated Oxygen. Angewandte Chemie (International Ed. in English). PMID 27159199 DOI: 10.1002/Anie.201601740 |
0.574 |
|
| 2016 |
Alves TV, Simón-Carballido L, Ornellas FR, Fernández-Ramos A. Hindered rotor tunneling splittings: an application of the two-dimensional non-separable method to benzyl alcohol and two of its fluorine derivatives. Physical Chemistry Chemical Physics : Pccp. 18: 8945-53. PMID 26960818 DOI: 10.1039/C5Cp05307B |
0.638 |
|
| 2015 |
Wang J, Alves TV, Trindade FJ, de Aquino CB, Pieretti JC, Domingues SH, Ando RA, Ornellas FR, Camargo PH. Theoretical Design and Experimental Realization of Quasi Single Electron Enhancement in Plasmonic Catalysis. Angewandte Chemie (International Ed. in English). 54: 14427-31. PMID 26768109 DOI: 10.1002/Anie.201507807 |
0.6 |
|
| 2015 |
da Silva AG, Rodrigues TS, Wang J, Yamada LK, Alves TV, Ornellas FR, Ando RA, Camargo PH. The Fault in Their Shapes: Investigating the Surface-Plasmon-Resonance-Mediated Catalytic Activities of Silver Quasi-Spheres, Cubes, Triangular Prisms, and Wires. Langmuir : the Acs Journal of Surfaces and Colloids. 31: 10272-8. PMID 26335725 DOI: 10.1021/Acs.Langmuir.5B02838 |
0.588 |
|
| 2015 |
Simón-Carballido L, Alves TV, Dybala-Defratyka A, Fernández-Ramos A. Kinetic Isotope Effects in Multipath VTST: Application to a Hydrogen Abstraction Reaction The Journal of Physical Chemistry B. 120: 1911-1918. DOI: 10.1021/Acs.Jpcb.5B09671 |
0.393 |
|
| 2015 |
de Lima JCB, Alves TV, de Oliveira-Filho AGS, Ornellas FR. The low-lying electronic states of BeI: Accounting for spin–orbit effects on the energetic profile characterization and molecular properties Chemical Physics Letters. 623: 22-28. DOI: 10.1016/J.Cplett.2015.01.040 |
0.673 |
|
| 2014 |
Alves TV, Ornellas FR. Exploring the electronic states of iodocarbyne: a theoretical contribution. Physical Chemistry Chemical Physics : Pccp. 16: 9530-7. PMID 24728328 DOI: 10.1039/C4Cp00375F |
0.682 |
|
| 2014 |
Alves TV, Alves MM, Roberto-Neto O, Ornellas FR. Direct dynamics investigation of the reaction S(3P) + CH4→ CH3+ SH(2Π) Chemical Physics Letters. 591: 103-108. DOI: 10.1016/J.Cplett.2013.11.011 |
0.724 |
|
| 2013 |
Hermoso W, Alves TV, de Oliveira CC, Moriya EG, Ornellas FR, Camargo PH. Triangular metal nanoprisms of Ag, Au, and Cu: Modeling the influence of size, composition, and excitation wavelength on the optical properties Chemical Physics. 423: 142-150. DOI: 10.1016/J.Chemphys.2013.07.008 |
0.633 |
|
| 2012 |
Hermoso W, Alves TV, Ornellas FR, Camargo PHC. 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 The European Physical Journal D. 66. DOI: 10.1140/Epjd/E2012-30144-Y |
0.736 |
|
| 2012 |
Alves TV, Hermoso W, Ornellas FR, Camargo PH. On the optical properties of copper nanocubes as a function of the edge length as modeled by the discrete dipole approximation Chemical Physics Letters. 544: 64-69. DOI: 10.1016/J.Cplett.2012.07.001 |
0.723 |
|
| 2011 |
Alves TV, Hermoso W, Franzreb K, Ornellas FR. Calcium-containing diatomic dications in the gas phase. Physical Chemistry Chemical Physics : Pccp. 13: 18297-306. PMID 21603705 DOI: 10.1039/C1Cp20735K |
0.752 |
|
| 2011 |
De Oliveira-Filho AGS, Alves TV, Ribas VW, Ferrão LFA, Roberto-Neto O, MacHado FBC, Ornellas FR. A CASSCF/MRCI study of the low-lying electronic states of the BeS molecule International Journal of Quantum Chemistry. 111: 1694-1700. DOI: 10.1002/Qua.22779 |
0.777 |
|
| 2010 |
Alves TV, Alexandre Aoto Y, Ornellas FR. Structural and spectroscopic properties of the diazocarbene radical (CNN) and its ions CNN+and CNN−: a high-level theoretical investigation Molecular Physics. 108: 2061-2071. DOI: 10.1080/00268976.2010.503666 |
0.677 |
|
| 2010 |
Alves TV, Hermoso W, Ornellas FR. The low-lying electronic states of BeAs: a first principles characterization Theoretical Chemistry Accounts. 127: 383-391. DOI: 10.1007/S00214-010-0726-6 |
0.772 |
|
| 2008 |
Alves TV, de Oliveira Filho AGS, Ornellas FR. The reaction of methyl radical with nitrogen atom on the triplet potential energy surface: A CCSD(T)/CBS characterization Chemical Physics Letters. 457: 36-41. DOI: 10.1016/J.Cplett.2008.03.081 |
0.598 |
|
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