Rabanal-León WA - Search Results

1

New Insights into Re3(μ-Cl)3Cl6 Aromaticity. Evidence of σ- and π-Diatropicity.

Vásquez-Espinal A, Pino-Rios R, Alvarez-Thon L, Rabanal-León WA, Torres-Vega JJ, Arratia-Perez R, Tiznado W. Vásquez-Espinal A, et al. Among authors: rabanal leon wa. J Phys Chem Lett. 2015 Nov 5;6(21):4326-30. doi: 10.1021/acs.jpclett.5b01816. Epub 2015 Oct 19. J Phys Chem Lett. 2015. PMID: 26722969

2

Understanding the influence of terminal ligands on the electronic structure and bonding nature in [Re6(μ3-Q8)](2+) clusters.

Rabanal-León WA, Murillo-López JA, Páez-Hernández D, Arratia-Pérez R. Rabanal-León WA, et al. J Phys Chem A. 2014 Nov 20;118(46):11083-9. doi: 10.1021/jp508892r. Epub 2014 Nov 11. J Phys Chem A. 2014. PMID: 25347816

3

Covalent lanthanide(III) macrocyclic complexes: the bonding nature and optical properties of a promising single antenna molecule.

Rabanal-León WA, Páez-Hernández D, Arratia-Pérez R. Rabanal-León WA, et al. Phys Chem Chem Phys. 2014 Dec 21;16(47):25978-88. doi: 10.1039/c4cp03882g. Epub 2014 Oct 30. Phys Chem Chem Phys. 2014. PMID: 25357209

4

Exploring the nature of the excitation energies in [Re6(μ3-Q8)X6](4-) clusters: a relativistic approach.

Rabanal-León WA, Murillo-López JA, Páez-Hernández D, Arratia-Pérez R. Rabanal-León WA, et al. Phys Chem Chem Phys. 2015 Jul 21;17(27):17611-7. doi: 10.1039/c5cp02003d. Epub 2015 Jun 2. Phys Chem Chem Phys. 2015. PMID: 26035072

5

The Synthesis of Stable, Complex Organocesium Tetramic Acids through the Ugi Reaction and Cesium-Carbonate-Promoted Cascades.

Martinez-Ariza G, Ayaz M, Roberts SA, Rabanal-León WA, Arratia-Pérez R, Hulme C. Martinez-Ariza G, et al. Among authors: rabanal leon wa. Angew Chem Int Ed Engl. 2015 Sep 28;54(40):11672-6. doi: 10.1002/anie.201504377. Epub 2015 Aug 12. Angew Chem Int Ed Engl. 2015. PMID: 26270696

6

Aromatic Lateral Substituents Influence the Excitation Energies of Hexaaza Lanthanide Macrocyclic Complexes: A Wave Function Theory and Density Functional Study.

Rabanal-León WA, Murillo-López JA, Páez-Hernández D, Arratia-Pérez R. Rabanal-León WA, et al. J Phys Chem A. 2015 Sep 24;119(38):9931-40. doi: 10.1021/acs.jpca.5b07202. Epub 2015 Sep 10. J Phys Chem A. 2015. PMID: 26325624

7

Insights into bonding interactions and excitation energies of 3d-4f mixed lanthanide transition metal macrocyclic complexes.

Rabanal-León WA, Murillo-López JA, Arratia-Pérez R. Rabanal-León WA, et al. Phys Chem Chem Phys. 2016 Dec 7;18(48):33218-33225. doi: 10.1039/c6cp07001a. Phys Chem Chem Phys. 2016. PMID: 27892559

8

AUTOMATON: A Program That Combines a Probabilistic Cellular Automata and a Genetic Algorithm for Global Minimum Search of Clusters and Molecules.

Yañez O, Báez-Grez R, Inostroza D, Rabanal-León WA, Pino-Rios R, Garza J, Tiznado W. Yañez O, et al. Among authors: rabanal leon wa. J Chem Theory Comput. 2019 Feb 12;15(2):1463-1475. doi: 10.1021/acs.jctc.8b00772. Epub 2019 Jan 3. J Chem Theory Comput. 2019. PMID: 30543750

9

Exploring the Potential Energy Surface of Trimetallic Deltahedral Zintl Ions: Lowest-Energy [Sn₆Ge₂Bi]^3- and [(Sn₆Ge₂Bi)₂]^4- Structures.

Báez-Grez R, Garza J, Vásquez-Espinal A, Osorio E, Rabanal-León WA, Yañez O, Tiznado W. Báez-Grez R, et al. Among authors: rabanal leon wa. Inorg Chem. 2019 Aug 5;58(15):10057-10064. doi: 10.1021/acs.inorgchem.9b01206. Epub 2019 Jul 9. Inorg Chem. 2019. PMID: 31287671

10

Kick-Fukui: A Fukui Function-Guided Method for Molecular Structure Prediction.

Yañez O, Báez-Grez R, Inostroza D, Pino-Rios R, Rabanal-León WA, Contreras-García J, Cardenas C, Tiznado W. Yañez O, et al. Among authors: rabanal leon wa. J Chem Inf Model. 2021 Aug 23;61(8):3955-3963. doi: 10.1021/acs.jcim.1c00605. Epub 2021 Aug 11. J Chem Inf Model. 2021. PMID: 34378935

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