C. Castillo-Quevedo

activity

20202026

most citedExploration of free energy surface and thermal effects on relative population and infrared spectrum of the Be

_{6}

_{11}^{-}

fluxional cluster

18 citations · 21 across the 8 of their papers we have counts for

collaborators

Showing 2021Show all

3 papers · 1 filter

cond-mat.mtrl-sci2021

Relative abundances and enantiomerization energy of the chiral Cu $_{13}$ cluster at finite temperature

Cesar Castillo-Quevedo, Carlos Emiliano Buelna-Garcia, Edgar Paredes-Sotelo +8

This study reports the lowest energy structure of bare Cu $_{13}$ nanoclusters as a pair of enantiomers for temperatures ranging from 20 to 1200 K. Moreover, we compute the enantiom…

cond-mat.mtrl-sci2021

Exploration of potential and free energy surfaces of the neutral Be $_{4}$ B $_{8}$ chiral clusters and their stabilities at finite temperatures

Carlos Emiliano Buelna-Garcia, Cesar Castillo-Quevedo, Eduardo Robles-Chaparro +10

The lowest-energy structure, distribution of isomers, and their molecular properties depend significantly on the geometry and temperature. The total energy computations under DFT m…

cond-mat.mtrl-sci2021★ 18 cited

Exploration of free energy surface and thermal effects on relative population and infrared spectrum of the Be $_{6}$ B $_{11}^{-}$ fluxional cluster

Carlos Emiliano Buelna-Garcia, Cesar Castillo-Quevedo, Jesus Manuel Quiroz-Castillo +5

The starting point to understanding cluster properties is the putative global minimum and all the nearby local energy minima; however, locating them is computationally expensive an…

Relative abundances and enantiomerization energy of the chiral Cu13​ cluster at finite temperature

Exploration of potential and free energy surfaces of the neutral Be4​B8​ chiral clusters and their stabilities at finite temperatures

Exploration of free energy surface and thermal effects on relative population and infrared spectrum of the Be6​B11−​ fluxional cluster

Relative abundances and enantiomerization energy of the chiral Cu $_{13}$ cluster at finite temperature

Exploration of potential and free energy surfaces of the neutral Be $_{4}$ B $_{8}$ chiral clusters and their stabilities at finite temperatures

Exploration of free energy surface and thermal effects on relative population and infrared spectrum of the Be $_{6}$ B $_{11}^{-}$ fluxional cluster