Castro M - Search Results

1

Substitutional Coinage Metals as Promising Defects for Adsorption and Detection of Gases on MoS₂ Monolayers: A Computational Approach.

Gutierrez-Rodriguez J, Castro M, Nieto-Jalil JM, Medina DI, Montes de Oca S, García-González JA, Rangel-Cortes E, Miralrio A. Gutierrez-Rodriguez J, et al. Among authors: castro m. Int J Mol Sci. 2023 Jun 17;24(12):10284. doi: 10.3390/ijms241210284. Int J Mol Sci. 2023. PMID: 37373431 Free PMC article.

2

4-Phenylcoumarin (4-PC) Glucoside from Exostema caribaeum as Corrosion Inhibitor in 3% NaCl Saturated with CO₂ in AISI 1018 Steel: Experimental and Theoretical Study.

Espinoza-Vázquez A, Rodríguez-Gómez FJ, Figueroa-Vargas IA, Pérez-Vásquez A, Mata R, Miralrio A, Galván-Martínez R, Castro M, Orozco-Cruz R. Espinoza-Vázquez A, et al. Among authors: castro m. Int J Mol Sci. 2022 Mar 15;23(6):3130. doi: 10.3390/ijms23063130. Int J Mol Sci. 2022. PMID: 35328550 Free PMC article.

3

Carbon Monoxide Activation on Small Iron Magnetic Cluster Surfaces, Fe_nCO, n = 1-20. A Theoretical Approach.

Limon P, Miralrio A, Gomez-Balderas R, Castro M. Limon P, et al. Among authors: castro m. J Phys Chem A. 2020 Dec 3;124(48):9951-9962. doi: 10.1021/acs.jpca.0c07042. Epub 2020 Nov 19. J Phys Chem A. 2020. PMID: 33207867

4

Small Transition-Metal Mixed Clusters as Activators of the C-O Bond. Fe_nCu_m-CO (n + m = 6): A Theoretical Approach.

Limon P, Miralrio A, Gómez-Balderas R, Castro M. Limon P, et al. Among authors: castro m. J Phys Chem A. 2021 Sep 16;125(36):7940-7955. doi: 10.1021/acs.jpca.1c05919. Epub 2021 Sep 2. J Phys Chem A. 2021. PMID: 34473929

5

Catalytic Reduction of Nitrous Oxide by the Low-Symmetry Pt₈ Cluster.

Hernández E, Bertin V, Soto J, Miralrio A, Castro M. Hernández E, et al. Among authors: castro m. J Phys Chem A. 2018 Mar 1;122(8):2209-2220. doi: 10.1021/acs.jpca.7b11055. Epub 2018 Feb 21. J Phys Chem A. 2018. PMID: 29437397

6

Theoretical study of negatively charged Fe(-)-(H2O)(n ≤ 6) clusters.

Castro M. Castro M. J Phys Chem A. 2012 Jun 14;116(23):5529-40. doi: 10.1021/jp212287j. Epub 2012 May 30. J Phys Chem A. 2012. PMID: 22607630

7

Bonding and magnetism of Fe(6)-(C(6)H(6))(m), m = 1, 2.

Valencia I, Guevara-García A, Castro M. Valencia I, et al. Among authors: castro m. J Phys Chem A. 2009 Jun 4;113(22):6222-38. doi: 10.1021/jp811065w. J Phys Chem A. 2009. PMID: 19422210

8

Design of the magnetic homonuclear bonds boron nitride nanosheets using DFT methods.

Anota EC, Hernández AB, Morales AE, Castro M. Anota EC, et al. Among authors: castro m. J Mol Graph Model. 2017 Jun;74:135-142. doi: 10.1016/j.jmgm.2017.03.019. Epub 2017 Mar 30. J Mol Graph Model. 2017. PMID: 28414977

9

A density functional theory analysis for the adsorption of the amine group on graphene and boron nitride nanosheets.

Anota EC, Juárez AR, Castro M, Cocoletzi HH. Anota EC, et al. Among authors: castro m. J Mol Model. 2013 Jan;19(1):321-8. doi: 10.1007/s00894-012-1539-4. Epub 2012 Aug 15. J Mol Model. 2013. PMID: 22893119

10

Bonding of benzene with excited States of Fe7.

Valencia I, Chávez V, Castro M. Valencia I, et al. Among authors: castro m. J Phys Chem A. 2008 Jun 12;112(23):5028-33. doi: 10.1021/jp712184w. Epub 2008 May 17. J Phys Chem A. 2008. PMID: 18484712

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