XHUU NAXHI

Hi @LatinXChem, presenting My work 'Theoretical study of interactions between quercetin and a natural deep eutectic solvent' at #LatinXChem24 #LatinXChemComp #Comp066

@EMMANUELCAMPOH1 @LatinXChem Thank You so much. We use PBE because this is a functional that has given good results in previous studies and it does not contain parameters from experimental data. In addition, the basis set can describe my system at a fairly good level with a reasonable computational cost.

@NHaHXA @LatinXChem Very interesting post! Why was the PBE functional and the 6-31G(d) basis set chosen for this study?

Hi @LatinXChem, presenting My work 'Theoretical study of interactions between quercetin and a natural deep eutectic solvent' at #LatinXChem24 #LatinXChemComp #Comp066

Hi @LatinXChem, presenting my work ‘Análisis por FTIR de mezclas de poliestireno y caucho natural’ at #LatinXChem24, #LatinXChemEnv, #Env009

Hi @LatinXChem, presenting my work ‘Computational study of solvents on the extraction of biofuel compounds found in biomass’ at #LatinXChem24 #LatinXChemComp #Comp050 #DFT #Biofuels

Hi @LatinXChem, presenting my work 'Theoretical study of interactions between polycyclic aromatic compounds and deep eutectic solvents' at #LatinXChem24 #LatinXChemComp #Comp049.

Hi everyone, I present my work 'Theoretical study of the oxidative desulfurization with new perturbed chemical reactivity descriptors', here at #LatinXChem24 @LatinXChem, for the category #LatinXChemComp #Comp059. This work was carried out at @uveracruzana, using #DFT theory.

Hi @LatinXChem, this is my work ‘Chemical reactivity of sulfur compounds present in crude oil: A CDFT and ML approach’ at #LatinXChem24 #LatinXChemComp #Comp051

@tef_gs @LatinXChem This allows me to expect that these molecules may interact with each other through possible hydrogen bonding within these regions.

@NHaHXA @LatinXChem Another one, in the discussion, when you mention the interaction between red and blue regions you mention hydrogen bond interactions. However, given the electrostatic nature of the analysis I would say that that is the main contributor. Can you comment on that?

@tef_gs @LatinXChem Certainly, the regions in blue and red colors represent areas in which there is more or less electrostatic potential due to the resulting partial charges of the atoms that conform the molecules, and this is the main contributor to the present analysis.

@tef_gs @LatinXChem Hi, thanks for the sugestión. LA is the acronym for Lactic Acid.

@NHaHXA @LatinXChem Hello Xhuu Naxhi, very interesting work. Suggestion: add a bar for the value of the electrostatic potential. Quick question: what is LA?

@MaraCon94925365 @LatinXChem @UJAT @BiotechnologyJ Hola, buenas tardes... ¿Qué bebida ácido láctica comercial utilizó para evaluar su efecto sobre la calidad microbiológica?. Gracias.

“Hola @LatinXChem, aquí nuestro trabajo ‘Efecto de una bebida láctea comercial sobre la calidad microbiológica y proximal de un salami’ en #LatinXChem23 #LatinXChemBio #Bio092 @MaraCon94925365 @UJAT @BiotechnologyJ” 🇲🇽🇲🇽🥓🥪🫕

Hola @LatinXChem, presentando mi trabajo "síntesis y caracterización del compuesto de almidón/aceite de silicona y elaboración de sus películas" en #LatinXChem23 #LatinXchemPhys #Phys16 @PCCP @RS_Energy @chemPhysChem