¿No tiene idea de cómo escribir un artículo científico? ¡No se preocupe, este artículo lo llevará de la mano! #Ciencia 🍁 researchgate.net/publication/31…

(Justo because these never get old) PBE0 - B3LYP - ωB97X-D

Hola LatinXChem, les presento mi trabajo ‘Adsorción de glicerol en superficies de TiO2 empleando métodos DFT’ en #LatinXChem23 #LatinXChemComp #Comp125 Beyond Benign, Green Chemistry, RSC Sustainability, Digital Discovery, PCCP, ChemRxiv, Lufac Computación.

Hola comunidad del LatinXChem, presentando mi trabajo ‘Estudio DFT de estructuras fullerénicas de nitruro de boro para la disociación de organoboranos RB-NR’. #LatinXChem23 #Comp065 #LatinXChemComp Digital Discovery #GreenChem ⚗️🍃♻️ Beyond Benign, Green Chemistry, RSC Sustainability

Buen día a toda la comunidad de #LatinXChem que hoy nos acompaña, estoy muy contenta de poder compartir mi trabajo titulado: “Retención de óxido nítrico por el fullereno B36N36 prístino en fase gas” en #LatinXChem23 . #LatinXChemNanoMat #LatinXChemEng #LatinXChemComp

XXI RMFQT, todo un éxito. Gracias a cada uno por su participación ¡Nos vemos en Chihuahua!

The most important equations in Physics and Mathematics 🧠

Hola al LatinXChem 2024, comparto mi propuesta de intervención titulada ‘El Aprendizaje Basado en Proyectos como Estrategia para Fomentar el uso de Abonos Orgánicos en la Producción Agrícola de Papa en Xonocuautla’ #LatinXChem24 #LatinXChemEdu #Edu19 #QuímicaenlaEducación #EMS

🤗Excited to present: The dipole moment and charge transfer in the Hydrogen Bond, at LatinXChem #LatinXChem24 #LatinXChemComp #Comp143 We use measurable dipole moments to accurately quantify charge transfer, providing a detailed assessment of its impact on the interaction energy

Molecular dynamics simulations in mixed reality! With Luciano Abriata and Lucien Krapp we’re scaling our multi-user WebXR platform to enable immersive molecular simulations, fully based on web technologies. Stay tuned, lots of cool stuff coming soon! Three.js #WebXR #Quest3

Congratulations to Noé Brigido Salvador from Universidad Pedagógica Nacional on winning third place in the #LatinXChemEdu category.🏆We congratulate Noé on this remarkable achievement. Noé has won a book from SBQ.

Congratulations to Valeria Saldaña from UNAM on winning first place in the #LatinXChemEdu category.🏆We congratulate Valeria on this remarkable achievement. 🎉Valeria has won a €250 book voucher from RSC Advances CERP. Tomorrow, we will announce more winners. 🥳Stay tuned!

An old #ChemEd #Chemistry summary of non-covalent interactions. This was aimed at UG chemists not experts. It is a foundation. It avoids the intricacies of this topic (I♥️Schreiner's work on dispersion forces & avoided discussing inductive effect of alkyl grps vs hyperconjugation

Choosing good DFT functionals is hard! There's a web of different forms & corrections, and it's often non-obvious how they stick together. Our guide for non-experts weaves its way through GGAs, mGGAs, hybrids, range-separated hybrids, double hybrids, & dispersion corrections: