Inostroza D - Search Results

1

Why an integrated approach between search algorithms and chemical intuition is necessary?

Thimmakondu VS, Sinjari A, Inostroza D, Vairaprakash P, Thirumoorthy K, Roy S, Anoop A, Tiznado W. Thimmakondu VS, et al. Among authors: inostroza d. Phys Chem Chem Phys. 2022 May 18;24(19):11680-11686. doi: 10.1039/d2cp00315e. Phys Chem Chem Phys. 2022. PMID: 35506427

2

Proposal of a simple and effective local reactivity descriptor through a topological analysis of an orbital-weighted fukui function.

Pino-Rios R, Yañez O, Inostroza D, Ruiz L, Cardenas C, Fuentealba P, Tiznado W. Pino-Rios R, et al. Among authors: inostroza d. J Comput Chem. 2017 Mar 30;38(8):481-488. doi: 10.1002/jcc.24699. Epub 2017 Jan 27. J Comput Chem. 2017. PMID: 28128851

3

A Fukui function-guided genetic algorithm. Assessment on structural prediction of Si_n (n = 12-20) clusters.

Yañez O, Vásquez-Espinal A, Inostroza D, Ruiz L, Pino-Rios R, Tiznado W. Yañez O, et al. Among authors: inostroza d. J Comput Chem. 2017 Jul 15;38(19):1668-1677. doi: 10.1002/jcc.24810. Epub 2017 Apr 24. J Comput Chem. 2017. PMID: 28436608

4

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: inostroza d. 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

5

Orbital-Weighted Dual Descriptor for the Study of Local Reactivity of Systems with (Quasi-) Degenerate States.

Pino-Rios R, Inostroza D, Cárdenas-Jirón G, Tiznado W. Pino-Rios R, et al. Among authors: inostroza d. J Phys Chem A. 2019 Dec 12;123(49):10556-10562. doi: 10.1021/acs.jpca.9b07516. Epub 2019 Nov 26. J Phys Chem A. 2019. PMID: 31710492

6

Aromatic ouroboroi: heterocycles involving a σ-donor-acceptor bond and 4n + 2 π-electrons.

Báez-Grez R , Inostroza D , García V , Vásquez-Espinal A , Donald KJ , Tiznado W . Báez-Grez R , et al. Among authors: inostroza d. Phys Chem Chem Phys. 2020 Jan 29;22(4):1826-1832. doi: 10.1039/c9cp05071j. Phys Chem Chem Phys. 2020. PMID: 31829390

7

Planar Hexacoordinate Carbons: Half Covalent, Half Ionic.

Leyva-Parra L, Diego L, Yañez O, Inostroza D, Barroso J, Vásquez-Espinal A, Merino G, Tiznado W. Leyva-Parra L, et al. Among authors: inostroza d. Angew Chem Int Ed Engl. 2021 Apr 12;60(16):8700-8704. doi: 10.1002/anie.202100940. Epub 2021 Mar 8. Angew Chem Int Ed Engl. 2021. PMID: 33527696

8

Li₈ Si₈ , Li₁₀ Si₉ , and Li₁₂ Si₁₀ : Assemblies of Lithium-Silicon Aromatic Units.

Manrique-de-la-Cuba MF, Leyva-Parra L, Inostroza D, Gomez B, Vásquez-Espinal A, Garza J, Yañez O, Tiznado W. Manrique-de-la-Cuba MF, et al. Among authors: inostroza d. Chemphyschem. 2021 May 17;22(10):906-910. doi: 10.1002/cphc.202001051. Epub 2021 Apr 19. Chemphyschem. 2021. PMID: 33779015

9

Neither too Classic nor too Exotic: One-Electron Na⋅B Bond in NaBH₃ ^- Cluster.

Pino-Rios R, Inostroza D, Tiznado W. Pino-Rios R, et al. Among authors: inostroza d. Angew Chem Int Ed Engl. 2021 Jun 1;60(23):12747-12753. doi: 10.1002/anie.202101403. Epub 2021 May 1. Angew Chem Int Ed Engl. 2021. PMID: 33876517

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: inostroza d. 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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