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Page 1
Exploration of Free Energy Surface and Thermal Effects on Relative Population and Infrared Spectrum of the Be6B11- Flux-Ional Cluster.
Buelna-Garcia CE, Cabellos JL, Quiroz-Castillo JM, Martinez-Guajardo G, Castillo-Quevedo C, de-Leon-Flores A, Anzueto-Sanchez G, Martin-Del-Campo-Solis MF. Buelna-Garcia CE, et al. Among authors: cabellos jl. Materials (Basel). 2020 Dec 29;14(1):112. doi: 10.3390/ma14010112. Materials (Basel). 2020. PMID: 33383889 Free PMC article.
Theoretical Prediction of Structures, Vibrational Circular Dichroism, and Infrared Spectra of Chiral Be4B8 Cluster at Different Temperatures.
Buelna-García CE, Robles-Chaparro E, Parra-Arellano T, Quiroz-Castillo JM, Del-Castillo-Castro T, Martínez-Guajardo G, Castillo-Quevedo C, de-León-Flores A, Anzueto-Sánchez G, Martin-Del-Campo-Solis MF, Mendoza-Wilson AM, Vásquez-Espinal A, Cabellos JL. Buelna-García CE, et al. Among authors: cabellos jl. Molecules. 2021 Jun 28;26(13):3953. doi: 10.3390/molecules26133953. Molecules. 2021. PMID: 34203563 Free PMC article.
Effects of Temperature on Enantiomerization Energy and Distribution of Isomers in the Chiral Cu13 Cluster.
Castillo-Quevedo C, Buelna-Garcia CE, Paredes-Sotelo E, Robles-Chaparro E, Zamora-Gonzalez E, Martin-Del-Campo-Solis MF, Quiroz-Castillo JM, Del-Castillo-Castro T, Martínez-Guajardo G, de-Leon-Flores A, Cortez-Valadez M, Ortiz-Chi F, Gaxiola T, Castillo SJ, Vásquez-Espinal A, Pan S, Cabellos JL. Castillo-Quevedo C, et al. Among authors: cabellos jl. Molecules. 2021 Sep 21;26(18):5710. doi: 10.3390/molecules26185710. Molecules. 2021. PMID: 34577181 Free PMC article.
Relative Populations and IR Spectra of Cu38 Cluster at Finite Temperature Based on DFT and Statistical Thermodynamics Calculations.
Buelna-García CE, Castillo-Quevedo C, Quiroz-Castillo JM, Paredes-Sotelo E, Cortez-Valadez M, Martin-Del-Campo-Solis MF, López-Luke T, Utrilla-Vázquez M, Mendoza-Wilson AM, Rodríguez-Kessler PL, Vazquez-Espinal A, Pan S, de Leon-Flores A, Mis-May JR, Rodríguez-Domínguez AR, Martínez-Guajardo G, Cabellos JL. Buelna-García CE, et al. Among authors: cabellos jl. Front Chem. 2022 Mar 1;10:841964. doi: 10.3389/fchem.2022.841964. eCollection 2022. Front Chem. 2022. PMID: 35300385 Free PMC article.
Nonclassical 21-Homododecahedryl Cation Rearrangement Revisited.
Jalife S, Mondal S, Osorio E, Cabellos JL, Martínez-Guajardo G, Fernández-Herrera MA, Merino G. Jalife S, et al. Among authors: cabellos jl. Org Lett. 2016 Mar 4;18(5):1140-2. doi: 10.1021/acs.orglett.5b03558. Epub 2016 Feb 10. Org Lett. 2016. PMID: 26862680
The cubyl cation rearrangements.
Jalife S, Mondal S, Cabellos JL, Martinez-Guajardo G, Fernandez-Herrera MA, Merino G. Jalife S, et al. Among authors: cabellos jl. Chem Commun (Camb). 2016 Feb 25;52(16):3403-5. doi: 10.1039/c5cc10568d. Chem Commun (Camb). 2016. PMID: 26880646
Dynamical behavior of Borospherene: A Nanobubble.
Martínez-Guajardo G, Cabellos JL, Díaz-Celaya A, Pan S, Islas R, Chattaraj PK, Heine T, Merino G. Martínez-Guajardo G, et al. Among authors: cabellos jl. Sci Rep. 2015 Jun 22;5:11287. doi: 10.1038/srep11287. Sci Rep. 2015. PMID: 26096039 Free PMC article.
Dynamical behavior of boron clusters.
Jalife S, Liu L, Pan S, Cabellos JL, Osorio E, Lu C, Heine T, Donald KJ, Merino G. Jalife S, et al. Among authors: cabellos jl. Nanoscale. 2016 Oct 14;8(40):17639-17644. doi: 10.1039/c6nr06383g. Nanoscale. 2016. PMID: 27714235
In quest of strong Be-Ng bonds among the neutral Ng-Be complexes.
Pan S, Moreno D, Cabellos JL, Romero J, Reyes A, Merino G, Chattaraj PK. Pan S, et al. Among authors: cabellos jl. J Phys Chem A. 2014 Jan 16;118(2):487-94. doi: 10.1021/jp409941v. Epub 2013 Nov 20. J Phys Chem A. 2014. PMID: 24199587
37 results