Flores-Moreno R - Search Results

1

Semiempirical Approach to the Fukui Function Analysis of Uric Acid under Different pH Conditions.

Fontanini RE, Flores-Moreno R, Zúñiga-Gutiérrez BA, Kaya S, Katin KP, Maslov MM, Kochaev A. Fontanini RE, et al. Among authors: flores moreno r. J Phys Chem A. 2023 Oct 5;127(39):8228-8237. doi: 10.1021/acs.jpca.3c04695. Epub 2023 Sep 26. J Phys Chem A. 2023. PMID: 37751600

2

Calculation of the EPR g-tensor from auxiliary density functional theory.

Zuniga-Gutierrez B, Medel-Juarez V, Varona A, González Ramírez HN, Flores-Moreno R. Zuniga-Gutierrez B, et al. J Chem Phys. 2020 Jan 7;152(1):014105. doi: 10.1063/1.5130174. J Chem Phys. 2020. PMID: 31914741

3

Analytic Alchemical Derivatives for the Analysis of Differential Acidity Assisted by the h Function.

Flores-Moreno R, Cortes-Llamas SA, Pineda-Urbina K, Medel VM, Jayaprakash GK. Flores-Moreno R, et al. J Phys Chem A. 2021 Dec 9;125(48):10463-10474. doi: 10.1021/acs.jpca.1c07364. Epub 2021 Nov 23. J Phys Chem A. 2021. PMID: 34812636

4

On point perforating defects in bilayer structures.

Kochaev AI, Efimov VV, Kaya S, Flores-Moreno R, Katin KP, Maslov MM. Kochaev AI, et al. Among authors: flores moreno r. Phys Chem Chem Phys. 2023 Nov 15;25(44):30477-30487. doi: 10.1039/d3cp03719c. Phys Chem Chem Phys. 2023. PMID: 37921407

5

Role of Defects on Regioselectivity of Nano Pristine Graphene.

Kudur Jayaprakash G, Casillas N, Astudillo-Sánchez PD, Flores-Moreno R. Kudur Jayaprakash G, et al. J Phys Chem A. 2016 Nov 17;120(45):9101-9108. doi: 10.1021/acs.jpca.6b08810. Epub 2016 Nov 8. J Phys Chem A. 2016. PMID: 27797503

6

A Fukui Analysis of an Arginine-Modified Carbon Surface for the Electrochemical Sensing of Dopamine.

Revanappa SK, Soni I, Siddalinganahalli M, Jayaprakash GK, Flores-Moreno R, Bananakere Nanjegowda C. Revanappa SK, et al. Among authors: flores moreno r. Materials (Basel). 2022 Sep 13;15(18):6337. doi: 10.3390/ma15186337. Materials (Basel). 2022. PMID: 36143660 Free PMC article.

7

On the energetic and magnetic stability of neutral and charged lithium clusters doped with one and two yttrium atoms.

González-Ramírez HN, Silos Vega HX, Gómez-Sandoval Z, Flores-Moreno R, Yáñez O, Pineda-Urbina K, Mojica-Sánchez JP, Flores-Álvarez JM. González-Ramírez HN, et al. Among authors: flores moreno r. Phys Chem Chem Phys. 2023 Mar 29;25(13):9656-9668. doi: 10.1039/d3cp00128h. Phys Chem Chem Phys. 2023. PMID: 36943209

8

A generalized any-particle propagator theory: prediction of proton affinities and acidity properties with the proton propagator.

Díaz-Tinoco M, Romero J, Ortiz JV, Reyes A, Flores-Moreno R. Díaz-Tinoco M, et al. J Chem Phys. 2013 May 21;138(19):194108. doi: 10.1063/1.4805030. J Chem Phys. 2013. PMID: 23697410

9

Fitting Multiplet Simulations to L-Edge XAS Spectra of Transition-Metal Complexes Using an Adaptive Grid Algorithm.

Herrera-Yáñez MG, Guerrero-Cruz JA, Ghiasi M, Elnaggar H, de la Torre-Rangel A, Bernal-Guzmán LA, Flores-Moreno R, de Groot FMF, Delgado-Jaime MU. Herrera-Yáñez MG, et al. Among authors: flores moreno r. Inorg Chem. 2023 Mar 6;62(9):3738-3760. doi: 10.1021/acs.inorgchem.2c02830. Epub 2023 Feb 21. Inorg Chem. 2023. PMID: 36808900

10

Symmetry Conservation in Fukui Functions.

Flores-Moreno R. Flores-Moreno R. J Chem Theory Comput. 2010 Jan 12;6(1):48-54. doi: 10.1021/ct9002527. J Chem Theory Comput. 2010. PMID: 26614318

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