de Oliveira-Filho AGS - Search Results

1

Protocol for optically pumping AlH⁺ to a pure quantum state.

Huang P, Kain S, de Oliveira-Filho AGS, Odom BC. Huang P, et al. Among authors: de oliveira filho ags. Phys Chem Chem Phys. 2020 Nov 4;22(42):24423-24430. doi: 10.1039/d0cp04036c. Phys Chem Chem Phys. 2020. PMID: 33084668

2

Precisely spun super rotors.

Antonov IO, Stollenwerk PR, Venkataramanababu S, de Lima Batista AP, de Oliveira-Filho AGS, Odom BC. Antonov IO, et al. Among authors: de oliveira filho ags. Nat Commun. 2021 Apr 13;12(1):2201. doi: 10.1038/s41467-021-22342-6. Nat Commun. 2021. PMID: 33850116 Free PMC article.

3

Photophysical properties and the NO photorelease mechanism of a ruthenium nitrosyl model complex investigated using the CASSCF-in-DFT embedding approach.

de Lima Batista AP, de Oliveira-Filho AGS, Galembeck SE. de Lima Batista AP, et al. Among authors: de oliveira filho ags. Phys Chem Chem Phys. 2017 May 31;19(21):13860-13867. doi: 10.1039/c7cp01642e. Phys Chem Chem Phys. 2017. PMID: 28513675

4

Homogeneous Catalytic CO₂ Hydrogenation by [Fe]-Hydrogenase Bioinspired Complexes: A Computational Study.

Ramos VM, de Oliveira-Filho AGS, de Lima Batista AP. Ramos VM, et al. Among authors: de oliveira filho ags. J Phys Chem A. 2022 Apr 7;126(13):2082-2090. doi: 10.1021/acs.jpca.1c09761. Epub 2022 Mar 28. J Phys Chem A. 2022. PMID: 35345882

5

Thermal rate constants for the O(3P) + HBr and O(3P) + DBr reactions: transition-state theory and quantum mechanical calculations.

de Oliveira-Filho AG, Ornellas FR, Peterson KA, Mielke SL. de Oliveira-Filho AG, et al. J Phys Chem A. 2013 Dec 5;117(48):12703-10. doi: 10.1021/jp4090684. Epub 2013 Nov 21. J Phys Chem A. 2013. PMID: 24246055

6

Energy disposal and thermal rate constants for the OH + HBr and OH + DBr reactions: quasiclassical trajectory calculations on an accurate potential energy surface.

de Oliveira-Filho AG, Ornellas FR, Bowman JM. de Oliveira-Filho AG, et al. J Phys Chem A. 2014 Dec 26;118(51):12080-8. doi: 10.1021/jp509430p. Epub 2014 Nov 12. J Phys Chem A. 2014. PMID: 25365787

7

Semiclassical Trajectory Studies of Reactive and Nonreactive Scattering of OH(A ² Σ⁺ ) by H₂ Based on an Improved Full-Dimensional Ab Initio Diabatic Potential Energy Matrix.

Han S, de Oliveira-Filho AGS, Shu Y, Truhlar DG, Guo H. Han S, et al. Among authors: de oliveira filho ags. Chemphyschem. 2022 Apr 20;23(8):e202200039. doi: 10.1002/cphc.202200039. Epub 2022 Mar 14. Chemphyschem. 2022. PMID: 35179813

8

The surprising metastability of TeH2+.

de Oliveira-Filho AG, Ornellas FR. de Oliveira-Filho AG, et al. J Chem Phys. 2013 Jun 14;138(22):224309. doi: 10.1063/1.4809566. J Chem Phys. 2013. PMID: 23781797

9

Full-dimensional analytical ab initio potential energy surface of the ground state of HOI.

de Oliveira-Filho AG, Aoto YA, Ornellas FR. de Oliveira-Filho AG, et al. J Chem Phys. 2011 Jul 28;135(4):044308. doi: 10.1063/1.3615545. J Chem Phys. 2011. PMID: 21806120

10

Accurate ab initio potential energy surfaces for the 3A'' and 3A' electronic states of the O(3P)+HBr system.

de Oliveira-Filho AG, Ornellas FR, Peterson KA. de Oliveira-Filho AG, et al. J Chem Phys. 2012 May 7;136(17):174316. doi: 10.1063/1.4705428. J Chem Phys. 2012. PMID: 22583239

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