Luis Araujo

@coisabrasil @dsilveira_neves é desses que vc fala?

@scientistswrite Hi Anna. I use jabref, because I usually work with LaTex to write my papers and docs.

I'm curious... which reference manager do you use? 🧐❓

@cunhascarla @LatinXChem @DaltonTrans @InorgChemFront @EurJIC Hello. Thank you for your answer.

@lphysico3168 @LatinXChem @DaltonTrans @InorgChemFront @EurJIC Hello! Thank you for the questions. It's g-C3N4 in its crystalline form. And for the presence of single atoms, we use EXAFS to ensure that there are no metal-metal bonds, and also TEM.

Hello, @LatinXChem, presenting my work "Photocatalytic Oxidation of Toluene Enabled by Crystalline Carbon Nitride Modified with Single Atoms". Follow the thread for more information about this work #LatinXChem23 #LatinXChemInorg #Inorg018 @DaltonTrans @InorgChemFront @EurJIC

@soyelAaron @LatinXChem @ChemRxiv Ok. Thanks

@lphysico3168 @LatinXChem @ChemRxiv Thank you for your answer, this is a nice question, the density is generated from WFT through the initial RASCI calculation, and from this the DFx and DFc are computed. Not the KS density.

“Hi @LatinXChem, I'm J. Aarón Rodríguez-Jiménez, PhD Student presenting my work ‘A combined WFT-DFT method based on the splitting of the natural orbital space’ at #LatinXChem23 #LatinXChemComp #Comp018 @ChemRxiv .” #DFT #WFT #ElectronicStructure #method_development

@ed_chamorro9 @packoV @LatinXChem @digital_rsc @PCCP @ChemRxiv @LufacIDT @beyondbenign @green_rsc @RSC_Sus Hi @packoV. I have some questions about this work. What was the approximation used for the exchange-correlation functional? In this line, what was the basis set used to solve KS equations?

@packoV @LatinXChem @digital_rsc @PCCP @ChemRxiv @LufacIDT @beyondbenign @green_rsc @RSC_Sus Hi Packo! I'm having a bit of trouble seeing the details on your poster. Could you possibly upload a higher-resolution version? Thanks

Hi @LatinXChem, presenting my work ‘DFT Adsorption calculations of Methylene Blue and Crystal Violet on Mandarin Peels’ at #LatinXChem23 #LatinXChemComp #Comp184. thanks for supporting this category @digital_rsc, @PCCP, @ChemRxiv, @LufacIDT. @beyondbenign, @green_rsc, @RSC_Sus

Hi @LatinXChem, presenting my work "Efficient colorimetric detection of organophosphate pesticides: acephate case study", at #LatinXChem23 #LatinXChemPhys #Phys37 #PCCP #RSC_Sus #green_rsc #organophosphates #acephate #detection

Hello @LatinXChem! I am pleased to share my poster named "Spectroscopic DFT study of low-energy isomers of interstellar C7H2: Understanding its structure". #LatinXChem23 #Comp060 #LatinXChemComp

Hi😀 @LatinXChem, presenting my work 'Exploration of the potential energy surface of C3H8O2 isomers: Insights into interstellar diols', at #LatinXChem23 #LatinXChemComp🖥️ #Comp036 @digital_rsc, @PCCP, @ChemRxiv, @LufacIDT, @theochemmerida.

Hi everyone at the @LatinXChem, I'm happy to share my work "CHEMSS: A program to compute NMR scaling factors" #Comp024 #LatinXChemComp #LatinXChem23 @CinvestavFisApl @CINVESTAVMERIDA @theochemmerida @digital_rsc, @PCCP, @ChemRxiv, @LufacIDT

Hi @LatinXChem !! These are my recent results in "Prospecting nitrogen nucleophiles for catalytic neutralization of organophosphates" #LatinXChem23 #LatinXChemPhys #Phys50 #Catalysis #Dephosphorylation #DABCO @RSC_Energy @PCCP @ChemPhysChem @beyondbenign @green_rsc @RSC_Sus

Hi @LatinXChem, presenting my work ‘Unlocking the Mystery of Mercury Contamination in Edible Seeds: Analytical Challenges and Solutions’ at #LatinXChem23 #LatinXChemAna #Ana31 @MethodsRSC @AnalysisSensing

Hi @LatinXChem, presenting my work "Corrosion resistance behavior of a polymeric base coating with metal oxides on G50 steel" at #LatinXChem23 #LatinXChemEng #Eng20,@RSC_ReactionEng, @RSC_MolEng, @beyondbenign, @green_rsc, @RSC_Sus, #covering, #corrosion

Hi @LatinXChem, presenting my work "Isolation and study of properties of thymine photosensitization products" at #LatinXChem23 #LatinXChemAna #Ana32

Hi @LatinXChem, presenting my work ‘Pd-Catalyzed Three-Component Synthesis of Chroman Ketals and Spiroketals with Antioxidant Activity’ at #LatinXChem23 #LatinXChemOrg @JOC_OL @LabSteroids

Hi @LatinXChem, presenting my work ‘A novel Protocol for Quasiparticle Correction and Excitonic Effects in Quasi-2D Halide Perovskites’ at #LatinXChem23 #LatinXChemComp #Comp149 @PCCP @digital_rsc @beyondbenign @green_rsc @RSC_Sus

Hi, @LatinXChem! I'm so glad to present my work 'Design of supported bimetallic clusters: an ab initio study of stability and catalytic potential'! #LatinXChem23 #LatinXChemComp #Comp183 #DFT #compchem #greenhydrogen @PCCP @digital_rsc @ChemRxiv @LufacIDT @green_rsc @RSC_Sus

... are in line as promising candidates for solar cell applications. Furthermore, polymorphic structures are more stable than their respective regular (pm-3m) counterparts, as indicated by the negative values of relative energies (Erel).

The results revealed that calculated gap energies converge to experimental references in sequence R→T→P, showing that to avoid a pronounced absorbance suppression when looking for ecofriendly substituents for Pb, Cs(Sn, Ge)I3 compounds ...

Hi @LatinXChem community, this is my work ‘Impact of Polymorphism and Relativistic Effects on the Electronic Properties of Halide Perovskites’ with poster number #NanoMat107 for #LatinXChem23 in the #LatinXChemNanoMat category. @nanoscale_rsc @green_rsc @RSC_Sus @beyondbenign