Hola a toda la comunidad @LatinXChem 2022, les comparto nuestro trabajo denominado “EVALUATION OF THE CAPTURE OF HYDROFLUOROCARBON GASES R-32, R-125, R-134a IN FLUORINATED IONIC LIQUIDS BY COMPUTATIONAL METHOD” #LatinXChem, #LXCHEMCOMP, #Chemistry#Unipamplona
Hello @LatinXChem, this is my work: In Silico Evaluation of Gas-Phase Bimolecular Reactions in the Interstellar Medium: A DFT and Kinetic Study. #Comp063 💻
#LatinXChemComp#DFT👽🛸🇨🇴☁️
@AdamWassermanR@LatinXChem The method was DFT, which minimizes the functional of the energy with respect to the electron density of the complex, by gaussian 09 using mulliken charges. The entropy values are close, but at 1,000kJ/mol and the numbers of the blue circles is the nomenclature of HFC gases.
Hola a toda la comunidad @LatinXChem 2022, les comparto nuestro trabajo denominado “EVALUATION OF THE CAPTURE OF HYDROFLUOROCARBON GASES R-32, R-125, R-134a IN FLUORINATED IONIC LIQUIDS BY COMPUTATIONAL METHOD” #LatinXChem, #LXCHEMCOMP, #Chemistry#Unipamplona