Theoretical Prediction of Structures, Vibrational Circular Dichroism, and Infrared Spectra of Chiral Be4B8 Cluster at Different Temperatures
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
Published in Molecules (Basel, Switzerland) (28.06.2021)
Published in Molecules (Basel, Switzerland) (28.06.2021)
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Journal Article
Exploration of Free Energy Surface and Thermal Effects on Relative Population and Infrared Spectrum of the Be6B11− Fluxional Cluster
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
Published in Materials (29.12.2020)
Published in Materials (29.12.2020)
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Journal Article
Effects of Temperature on Enantiomerization Energy and Distribution of Isomers in the Chiral Cu13 Cluster
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
Published in Molecules (Basel, Switzerland) (21.09.2021)
Published in Molecules (Basel, Switzerland) (21.09.2021)
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Journal Article
Relative Populations and IR Spectra of Cu38 Cluster at Finite Temperature Based on DFT and Statistical Thermodynamics Calculations
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
Published in Frontiers in chemistry (01.03.2022)
Published in Frontiers in chemistry (01.03.2022)
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Journal Article
Theoretical Prediction of Structures, Vibrational Circular Dichroism, and Infrared Spectra of Chiral Be 4 B 8 Cluster at Different Temperatures
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
Published in Molecules (Basel, Switzerland) (28.06.2021)
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Published in Molecules (Basel, Switzerland) (28.06.2021)
Journal Article
Exploration of Free Energy Surface and Thermal Effects on Relative Population and Infrared Spectrum of the Be6B11− Flux-Ional Cluster
Buelna-Garcia, Carlos Emilano, 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
Published in Materials (01.01.2021)
Published in Materials (01.01.2021)
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Journal Article
Exploration of Free Energy Surface and Thermal Effects on Relative Population and Infrared Spectrum of the Be 6 B 11 - Flux-Ional Cluster
Buelna-Garcia, Carlos Emilano, 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
Published in Materials (29.12.2020)
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Published in Materials (29.12.2020)
Journal Article
Relative Populations and IR Spectra of Cu 38 Cluster at Finite Temperature Based on DFT and Statistical Thermodynamics Calculations
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
Published in Frontiers in chemistry (2022)
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Published in Frontiers in chemistry (2022)
Journal Article
Relative abundances and enantiomerization energy of the chiral Cu$_{13}$ cluster at finite temperature
Castillo-Quevedo, Cesar, Buelna-Garcia, Carlos Emiliano, Paredes-Sotelo, Edgar, Robles-Chaparro, Eduardo, Martinez-Guajardo, Gerardo, Quiroz-Castillo, Jesus Manuel, de-Leon-Flores, Aned, Gaxiola, Tulio, Castillo, Santos Jesus, Vasquez-Espinal, Alejandro, Cabellos, Jose Luis
Year of Publication 08.09.2021
Year of Publication 08.09.2021
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Journal Article
Exploration of free energy surface and thermal effects on relative population and infrared spectrum of the Be$_6$B$_{11}^{-}$ fluxional cluster
Buelna-Garcia, Carlos Emiliano, Castillo-Quevedo, Cesar, Quiroz-Castillo, Jesus Manuel, Martinez-Guajardo, Gerardo, de-Leon-Flores, Aned, Anzueto-Sanchez, Gilberto, Martin-del-Campo-Solis, Martha Fabiola, Cabellos, Jose Luis
Year of Publication 01.01.2021
Year of Publication 01.01.2021
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Journal Article
Exploration of potential and free energy surfaces of the neutral Be$_4$B$_{8}$ chiral clusters and their stabilities at finite temperatures
Buelna-Garcia, Carlos Emiliano, Castillo-Quevedo, Cesar, Robles-Chaparro, Eduardo, Parra-Arellano, Tristan, Quiroz-Castillo, Jesus Manuel, del Castillo-Castro, Teresa, Martínez-Guajardo, Gerardo, de-Leon-Flores, Aned, Anzueto-Sánchez, Gilberto, Martin-del-Campo-Solis, Martha Fabiola, Mendoza-Wilson, Ana Maria, Vasquez-Espinal, Alejandro, Cabellos, Jose Luis
Year of Publication 28.06.2021
Year of Publication 28.06.2021
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Journal Article
Relative abundances and enantiomerization energy of the chiral Cu\(_{13}\) cluster at finite temperature
Castillo-Quevedo, Cesar, Buelna-Garcia, Carlos Emiliano, Paredes-Sotelo, Edgar, Robles-Chaparro, Eduardo, Martinez-Guajardo, Gerardo, Quiroz-Castillo, Jesus Manuel, de-Leon-Flores, Aned, Gaxiola, Tulio, Santos Jesus Castillo, Vasquez-Espinal, Alejandro, Cabellos, Jose Luis
Published in arXiv.org (09.09.2021)
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Published in arXiv.org (09.09.2021)
Paper
Exploration of free energy surface and thermal effects on relative population and infrared spectrum of the Be\(_6\)B\(_{11}^{-}\) fluxional cluster
Buelna-Garcia, Carlos Emiliano, Castillo-Quevedo, Cesar, Quiroz-Castillo, Jesus Manuel, Martinez-Guajardo, Gerardo, de-Leon-Flores, Aned, Anzueto-Sanchez, Gilberto, Martin-del-Campo-Solis, Martha Fabiola, Cabellos, Jose Luis
Published in arXiv.org (02.01.2021)
Published in arXiv.org (02.01.2021)
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Paper
Exploration of potential and free energy surfaces of the neutral Be\(_4\)B\(_{8}\) chiral clusters and their stabilities at finite temperatures
Buelna-Garcia, Carlos Emiliano, Castillo-Quevedo, Cesar, Robles-Chaparro, Eduardo, Parra-Arellano, Tristan, Quiroz-Castillo, Jesus Manuel, Teresa del Castillo-Castro, Martínez-Guajardo, Gerardo, de-Leon-Flores, Aned, Anzueto-Sánchez, Gilberto, Martin-del-Campo-Solis, Martha Fabiola, Mendoza-Wilson, Ana Maria, Vasquez-Espinal, Alejandro, Cabellos, Jose Luis
Published in arXiv.org (29.06.2021)
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Published in arXiv.org (29.06.2021)
Paper