Teodoro TQ - Search Results

1

Relativistic Prolapse-Free Gaussian Basis Set of Quadruple-ζ Quality: (aug-)RPF-4Z. II. The d-Block Elements.

Teodoro TQ, Ferreira da Silva AB, Haiduke RL. Teodoro TQ, et al. J Chem Theory Comput. 2014 Nov 11;10(11):4761-4. doi: 10.1021/ct500804j. J Chem Theory Comput. 2014. PMID: 26584362

2

Accurate relativistic adapted Gaussian basis sets for francium through Ununoctium without variational prolapse and to be used with both uniform sphere and Gaussian nucleus models.

Teodoro TQ, Haiduke RL. Teodoro TQ, et al. J Comput Chem. 2013 Oct 15;34(27):2372-9. doi: 10.1002/jcc.23400. Epub 2013 Aug 2. J Comput Chem. 2013. PMID: 23913741

3

Relativistic Prolapse-Free Gaussian Basis Set of Quadruple-ζ Quality: (aug-)RPF-4Z. I. The s- and p-Block Elements.

Teodoro TQ, da Silva AB, Haiduke RL. Teodoro TQ, et al. J Chem Theory Comput. 2014 Sep 9;10(9):3800-6. doi: 10.1021/ct500518n. Epub 2014 Jul 15. J Chem Theory Comput. 2014. PMID: 26588525

4

Relativistic Prolapse-Free Gaussian Basis Sets of Quadruple-ζ Quality: (aug-)RPF-4Z. III. The f-Block Elements.

Teodoro TQ, Visscher L, da Silva AB, Haiduke RL. Teodoro TQ, et al. J Chem Theory Comput. 2017 Mar 14;13(3):1094-1101. doi: 10.1021/acs.jctc.6b00650. Epub 2017 Jan 6. J Chem Theory Comput. 2017. PMID: 28005360

5

The nuclear electric quadrupole moment of copper.

Santiago RT, Teodoro TQ, Haiduke RL. Santiago RT, et al. Among authors: teodoro tq. Phys Chem Chem Phys. 2014 Jun 21;16(23):11590-6. doi: 10.1039/c4cp00706a. Epub 2014 May 8. Phys Chem Chem Phys. 2014. PMID: 24806277

6

The ground-state potential energy curve of the radium dimer from relativistic coupled cluster calculations.

Teodoro TQ, Haiduke RL, Dammalapati U, Knoop S, Visscher L. Teodoro TQ, et al. J Chem Phys. 2015 Aug 28;143(8):084307. doi: 10.1063/1.4929348. J Chem Phys. 2015. PMID: 26328843

7

Nonnuclear Attractors in Heteronuclear Diatomic Systems.

Terrabuio LA, Teodoro TQ, Matta CF, Haiduke RL. Terrabuio LA, et al. Among authors: teodoro tq. J Phys Chem A. 2016 Mar 3;120(8):1168-74. doi: 10.1021/acs.jpca.5b10888. Epub 2016 Feb 19. J Phys Chem A. 2016. PMID: 26842391

8

Systematic theoretical study of non-nuclear electron density maxima in some diatomic molecules.

Terrabuio LA, Teodoro TQ, Rachid MG, Haiduke RL. Terrabuio LA, et al. Among authors: teodoro tq. J Phys Chem A. 2013 Oct 10;117(40):10489-96. doi: 10.1021/jp406992q. Epub 2013 Sep 30. J Phys Chem A. 2013. PMID: 24020914

9

Frequency Range Selection Method for Vibrational Spectra.

Teodoro TQ, Koenis MAJ, Galembeck SE, Nicu VP, Buma WJ, Visscher L. Teodoro TQ, et al. J Phys Chem Lett. 2018 Dec 6;9(23):6878-6882. doi: 10.1021/acs.jpclett.8b02963. Epub 2018 Nov 21. J Phys Chem Lett. 2018. PMID: 30449106 Free PMC article.

10

Use of Density Functional Based Tight Binding Methods in Vibrational Circular Dichroism.

Teodoro TQ, Koenis MAJ, Rüger R, Galembeck SE, Buma WJ, Nicu VP, Visscher L. Teodoro TQ, et al. J Phys Chem A. 2018 Dec 13;122(49):9435-9445. doi: 10.1021/acs.jpca.8b08218. Epub 2018 Nov 30. J Phys Chem A. 2018. PMID: 30452264

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