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Hello everyone I’m Juan Carlos Postdoctoral Researcher @PC2A_umr8522 @univ_lille@CNRS_HdF
Here is my #RSCposter@RoySocChem#RSCEnergy#RSCEnv#RSCPhys “Theoretical study of H-abstraction reactions by H-atoms from selected oxygenated polycyclic aromatic hydrocarbons (OPAHs)”
Last paper issued: Thermochemical and kinetic studies of H-abstraction reaction of benzofurans and benzodioxins by H-atoms @univ_lille @PC2A_umr8522 #compchem#OPAHs#combustion https://t.co/6j1n6ewRqs
@VioletaDzib@LatinXChem@theochemmerida@CINVESTAVMERIDA Hi Violeta, very interesting poster, nice work!!!. Just a question, if a coupling of vibration modes occurs in a specie X, is there a way within the 1D-HR treatment to decouple it?
The #LatinXChem week begins with our Twitter conference, but remember that from Tuesday to Friday there is a series of very interesting webinars. We conclude on Friday at 18 h UTC with our awards ceremony!
Hi @LatinXChem, this is my work ‘Computational chemistry in the generation of detailed kinetic models for the combustion of hydrocarbons’, #LatinXChem#LXChemComp#Comp123
@Barb_Herrera_P@LatinXChem Hi Barbara, thank you for your question. The kinetic constants are determined from the Transition State Theory (TST) which are linked to the partition functions of the reactants and transition states, such as: