Galván M - Search Results

1

Chattaraj PK, González-Rivas N, Matus MH, Galván M. Chattaraj PK, et al. Among authors: galvan m. J Phys Chem A. 2005 Jun 30;109(25):5602-7. doi: 10.1021/jp045319a. J Phys Chem A. 2005. PMID: 16833892

2

Basis set effects on frontier molecular orbital energies and energy gaps: a comparative study between plane waves and localized basis functions in molecular systems.

Matus MH, Garza J, Galván M. Matus MH, et al. Among authors: galvan m. J Chem Phys. 2004 Jun 8;120(22):10359-63. doi: 10.1063/1.1738111. J Chem Phys. 2004. PMID: 15268062

3

Effect of double bonds on the conducting properties of ciguatoxin 3C and tetrahydropyrane-based polymers: a theoretical study.

Matus MH, Garza J, Galván M. Matus MH, et al. Among authors: galvan m. J Phys Chem B. 2006 Jan 26;110(3):1172-8. doi: 10.1021/jp053491o. J Phys Chem B. 2006. PMID: 16471660

4

Nucleophilicity index from perturbed electrostatic potentials.

Cedillo A, Contreras R, Galván M, Aizman A, Andrés J, Safont VS. Cedillo A, et al. Among authors: galvan m. J Phys Chem A. 2007 Mar 29;111(12):2442-7. doi: 10.1021/jp068459o. Epub 2007 Mar 8. J Phys Chem A. 2007. PMID: 17388330

5

Hydrodesulfurization of Dibenzothiophene: A Machine Learning Approach.

Castro G, Cruz-Borbolla J, Galván M, Guevara-García A, Ireta J, Matus MH, Meneses-Viveros A, Ignacio Perea-Ramírez L, Pescador-Rojas M. Castro G, et al. Among authors: galvan m. ChemistryOpen. 2024 Apr 12:e202400062. doi: 10.1002/open.202400062. Online ahead of print. ChemistryOpen. 2024. PMID: 38607955 Free article.

6

Nature of Hydrogen Bonds and S···S Interactions in the l-Cystine Crystal.

Flores-Huerta AG, Tkatchenko A, Galván M. Flores-Huerta AG, et al. Among authors: galvan m. J Phys Chem A. 2016 Jun 23;120(24):4223-30. doi: 10.1021/acs.jpca.6b03167. Epub 2016 Jun 8. J Phys Chem A. 2016. PMID: 27249178

7

Establishing the Relationship between Quantum Capacitance and Softness of N-Doped Graphene/Electrolyte Interfaces within the Density Functional Theory Grand Canonical Kohn-Sham Formalism.

Ochoa-Calle A, Guevara-García A, Vazquez-Arenas J, González I, Galván M. Ochoa-Calle A, et al. Among authors: galvan m. J Phys Chem A. 2020 Jan 23;124(3):573-581. doi: 10.1021/acs.jpca.9b10885. Epub 2020 Jan 10. J Phys Chem A. 2020. PMID: 31876420

8

Potential energy landscape of monolayer-surface systems governed by repulsive lateral interactions: the case of (3 x 3)-I-Pt(111).

Tkatchenko A, Batina N, Galván M. Tkatchenko A, et al. Among authors: galvan m. Phys Rev Lett. 2006 Jul 21;97(3):036102. doi: 10.1103/PhysRevLett.97.036102. Epub 2006 Jul 18. Phys Rev Lett. 2006. PMID: 16907514

9

Sensing polarization effects through the analysis of the effective C6 dispersion coefficients in NaCl solutions.

Guevara-García A, Ireta J, Galván M. Guevara-García A, et al. Among authors: galvan m. J Chem Phys. 2015 Jan 7;142(1):014504. doi: 10.1063/1.4905125. J Chem Phys. 2015. PMID: 25573569

10

Activated layered double hydroxides: assessing the surface anion basicity and its connection with the catalytic activity in the cyanoethylation of alcohols.

Castro G, Valente JS, Galván M, Ireta J. Castro G, et al. Among authors: galvan m. Phys Chem Chem Phys. 2022 Oct 5;24(38):23507-23516. doi: 10.1039/d2cp02704f. Phys Chem Chem Phys. 2022. PMID: 36129120

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