Effects of Temperature on Enantiomerization Energy and Distribution of Isomers in the Chiral Cu(13) Cluster

In this study, we report the lowest energy structure of bare Cu(13) nanoclusters as a pair of enantiomers at room temperature. Moreover, we compute the enantiomerization energy for the interconversion from minus to plus structures in the chiral putative global minimum for temperatures ranging from 2...

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Detalles Bibliográficos
Autores principales: Castillo-Quevedo, Cesar, Buelna-Garcia, Carlos Emiliano, Paredes-Sotelo, Edgar, Robles-Chaparro, Eduardo, Zamora-Gonzalez, Edgar, Martin-del-Campo-Solis, Martha Fabiola, Quiroz-Castillo, Jesus Manuel, del-Castillo-Castro, Teresa, Martínez-Guajardo, Gerardo, de-Leon-Flores, Aned, Cortez-Valadez, Manuel, Ortiz-Chi, Filiberto, Gaxiola, Tulio, Castillo, Santos Jesus, Vásquez-Espinal, Alejandro, Pan, Sudip, Cabellos, Jose Luis
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2021
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8471510/
https://www.ncbi.nlm.nih.gov/pubmed/34577181
http://dx.doi.org/10.3390/molecules26185710

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