Exploration of Free Energy Surface and Thermal Effects on Relative Population and Infrared Spectrum of the Be(6)B(11)(−) Fluxional Cluster

por Buelna-Garcia, Carlos Emiliano, Cabellos, José Luis, Quiroz-Castillo, Jesus Manuel, Martinez-Guajardo, Gerardo, Castillo-Quevedo, Cesar, de-Leon-Flores, Aned, Anzueto-Sanchez, Gilberto, Martin-del-Campo-Solis, Martha Fabiola
Publicado 2020

Theoretical Prediction of Structures, Vibrational Circular Dichroism, and Infrared Spectra of Chiral Be(4)B(8) Cluster at Different Temperatures

por Buelna-García, Carlos Emiliano, Robles-Chaparro, Eduardo, Parra-Arellano, Tristan, Quiroz-Castillo, Jesus Manuel, del-Castillo-Castro, Teresa, Martínez-Guajardo, Gerardo, Castillo-Quevedo, Cesar, de-León-Flores, Aned, Anzueto-Sánchez, Gilberto, Martin-del-Campo-Solis, Martha Fabiola, Mendoza-Wilson, Ana Maria, Vásquez-Espinal, Alejandro, Cabellos, Jose Luis
Publicado 2021

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

por 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
Publicado 2021

Relative Populations and IR Spectra of Cu(38) Cluster at Finite Temperature Based on DFT and Statistical Thermodynamics Calculations

por Buelna-García, Carlos Emiliano, Castillo-Quevedo, Cesar, Quiroz-Castillo, Jesus Manuel, Paredes-Sotelo, Edgar, Cortez-Valadez, Manuel, Martin-del-Campo-Solis, Martha Fabiola, López-Luke, Tzarara, Utrilla-Vázquez, Marycarmen, Mendoza-Wilson, Ana Maria, Rodríguez-Kessler, Peter L., Vazquez-Espinal, Alejandro, Pan, Sudip, de Leon-Flores, Aned, Mis-May, Jhonny Robert, Rodríguez-Domínguez, Adán R., Martínez-Guajardo, Gerardo, Cabellos, Jose Luis
Publicado 2022