Hazel Vázquez Hernández

🧬 An emergent #helicoidal geometry for the elements! A new information-theoretic study reveals #elements Z=1–103 form a continuous manifold in 3D space—and sheds new light on #hydrogen's unique chemical identity. 🔺 Access the full text at: mdpi.com/2624-960X/8/1/…

@rgraucrespo Hi @rgraucrespo, thanks for asking. Certainly, the main change for adapting the metric for inorganic polytypes would be how to define the rigid units to be compared. But once that is systematized, the (dis)similarity index could be directly applied.

Hi @LatinXChem, presenting my work 'Molecular packing similarity index based on dual quaternions' at #LatinXChem24 #LatinXChemComp #Comp081 #MolecularCrystals #CSP #QSAR.

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

“Hi @LatinXChem, presenting my work "Free energy determination in molecular crystals using ab initio methods" #LatinXChem24 #LatinXChemComp #Comp149

🤗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

“Hi @LatinXChem, presenting my work "Extracting knowledge of 2D-Hybrid Halide Perovskite materials, a data mining approach." #LatinXChem24 #LatinXChemComp #Comp084

Hello everyone in the @LatinXChem community. This is my work: "Machine learning for the efficient exploration of the oxalic acid polymorphs", #Comp091 #LatinXChemComp