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Effects of Temperature on Enantiomerization Energy and Distribution of Isomers in the Chiral Cu13 Cluster.
Molecules. 2021 Sep 21;26(18):5710. doi: 10.3390/molecules26185710.
Molecules. 2021.
PMID: 34577181
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.
Molecules. 2021 Jun 28;26(13):3953. doi: 10.3390/molecules26133953.
Molecules. 2021.
PMID: 34203563
Free PMC article.
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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.
Front Chem. 2022 Mar 1;10:841964. doi: 10.3389/fchem.2022.841964. eCollection 2022.
Front Chem. 2022.
PMID: 35300385
Free PMC article.
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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.
Materials (Basel). 2020 Dec 29;14(1):112. doi: 10.3390/ma14010112.
Materials (Basel). 2020.
PMID: 33383889
Free PMC article.
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