18 citations · 18 across the 3 of their papers we have counts for
3 papers
Structures and stability of the Cu cluster at finite temperature
César Castillo-Quevedo, Edgar Paredes-Sotelo, Carlos Emiliano Buelna-García +12
The UV-visible and IR properties of the Cu nanocluster depend to a great extent on the temperature. Density functional theory and nanothermodynamics can be combined to compu…
Exploration of potential and free energy surfaces of the neutral BeB 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…
Exploration of free energy surface and thermal effects on relative population and infrared spectrum of the BeB 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…