Paolo Giovanni Zucchini Cuevas

Felicitamos a Valentín Villarreal, quien obtuvo una mención en LatinXChem2024 por su estudio cinético de la reacción de intermediarios de Criegee con SO2 en presencia de agua ¡Bravo! 👏👏

Congratulations to @valenchem from @unlp on winning an honorable mention in the #LatinXChemEnv category.🏆We congratulate Valentín on this remarkable achievement.

“Hi @LatinXChem, I present our work entitled ‘Vanillin and its photochemicaldegradation under UV-A radiationskin’ at #LatinXChem24 #LatinXChemBio #Bio27.” #photochemistry, #Fluorescence, #antioxidant, #UVAirradiation, #LFP, #LCMS, #HPLC

Hi @LatinXChem. I’m truly sorry for not submitting my work on time due to connection issues, but I couldn’t resist sharing it! Using computational simulations to help explain experimental results on lithium extraction was so interesting. #LatinXChemComp #Comp106 #LatinXChem24

Hola @LatinXChem, presentamos nuestro trabajo ‘Cálculo de las constantes de velocidad de las reacciones de CCl2FCH2CF3 (HCFC-234fb) con los radicales OH y Cl’ at #LatinXChem24 #LatinXChemComp #Comp153.

Hello @LatinXChem , I am very excited to share my work “A computational study of the conformational stability, vibrational spectra, and thermochemical properties of Fluopicolide”. #LatinXChem24 #LatinXChemEnv #Env058

@wilfredesp @LatinXChem impeccable job, Wil !

Here we go again! Hello @LatinXChem community, happy to participate again! We share our work titled "Theoretical kinetic study of Criegee Intemediates reaction with SO2 in presence of water" I Hope you like it #LatinXChem24 #LatinXChemEnv #Env068 #DFT #atmosphere #compchem

@valenchem @LatinXChem very very nice, Valen!

@duarte_lj @LatinXChem ... Finally, we only report the global rate constant

@duarte_lj @LatinXChem about Conformational changes: for the 2,2dCP it is not necessary due to the simmetry of the molecule,then the conformers are equivalent for the 1,1dCP:using differents conformers in the transition state we obtain differents isomers (E & Z alkenes) ...

Hello, @Latinxchem community!!! Here's a spoiler about my work #Comp169 "Comparison of the thermal decomposition reactions for different isomers of dichloropropane" in #LatinXChem24 #LatinXChemComp

@duarte_lj @LatinXChem about the conformational changes: for the 2,2-dCP it is not necesarry due to the simmetry of the molecula, then the conformers are equivalents. for the 1,1-dCP: using differents conformers (in the transition state) take place differents products with similar probability...(cont)

@FlorentLouis59 @LatinXChem However, when studing C-Br bonds, the energy differences between the transition state and the enthalpy of the C-Br bond breaking are small, and we'll need to implement several corrections to improve the predictions, I'll remember you when we're doing 😃

@FlorentLouis59 @LatinXChem ThaAaanks, Florent!!! Respect to your question: due to the differences between the enthalpy of reaction (to break the C-Cl bond) and the barrier energy of the transition state considered (>20 kcal/mol or >84 kJ/mol) it is not necessary ...

📢Open Call: 2 PhD positions in Organic Chemistry - Universidad de Castilla-La Mancha (Albacete):

Felicitamos a nuestro tesista doctoral Yeljair Monascal del Grupo de Cinética Química y Fotoquímica en Fase Gaseosa, por su participación en la XXI RMFQT. Los resultados mostrados son parte de un estudio teórico de la degradación térmica de alcanos cíclicos de interés ambiental.