What is the most stable structure of B12H12? The dianion is a perfect icosahedron. The neutral system upholds its deltahedral structure, but to offset the electron loss and preserve the boron framework, it forms an H2 and a bare boron site. DaltonTransactions pubs.rsc.org/en/content/art…

can you see the spinning dodecahedron? pause the video and it disappears

Gerardo keeps challenging the status quo in boron hydrides. In this paper PCCP, he explored the PES of B5H5 and found that the most viable structure is 3D, not planar. Many congratulations, Gerardo Hernández-Juárez! pubs.rsc.org/en/content/art… Fernando Murillo Jorge Barroso Computational and Theoretical Chemistry Group Filiberto Ortiz Chi

Determining the aromaticity of molecules with heavy elements is never trivial, especially from a magnetic viewpoint due to the core electrons. Check out our preprint on this topic on ChemRxiv! doi.org/10.26434/chemr… A work with Eduard Matito 🎗 Gabriel Merino Faculty of Science, University of Helsinki

Using the participation of the d orbitals in heavy Group 2 elements, it is possible to stabilize planar pentadecacoordinate atoms. This is the story we detailed in our recent article published in J. Am. Chem. Soc. A collaboration between groups in 🇨🇳 🇨🇱 🇺🇸 🇲🇽 pubs.acs.org/doi/10.1021/ja…

Exploring the Use of “Honorary Transition Metals” To Push the Boundaries of Planar Hypercoordinate Alkaline-Earth Metals | Journal of the American Chemical Society Gabriel Merino Cinvestav LatinXChem #TransitionMetal #Hypercoordinate #AlkalineEarth pubs.acs.org/doi/10.1021/ja…

#Aromaticity2025 website is live! Explore the amazing line-up of confirmed speakers & register now for this not-to-be-missed event! theochemmerida.org/aromaticity2025

#compchem Good read: Core-electron contributions to the magnetic response of molecules with heavy elements and their significance in aromaticity assessments pubs.rsc.org/en/content/art…

The best poster in the entire #LatinXChem competition looks amazing! The Center for Theoretical and Computational Chemistry will cover airfare and local expenses (90 dollars per day) for a week-long visit to U. Andrés Bello. It’s the perfect prize!

Our latest contribution on planar hypercoordinate atoms in Chemical Communications. We tested several combinations that appeared geometrically tetracoordinate and planar, but only C4H2NGe2+ was truly found to have a ptN William Tiznado Luis Leyva Parra #ChemComm60 pubs.rsc.org/en/content/art…

My formerly on Twitter colleague Pere Miro has a postdoc opening! Apply a bottom-up perspective to understanding polyoxovanadate-alkoxide clusters! #chempostdoc #compchem Chemjobber UIowa Chemistry jobs.uiowa.edu/postdoc/view/4…

I'm hiring a postdoc! Come join us and model actinides. University of Iowa is a great place to learn radiochemistry! #chempostdoc #compchem Chemjobber jobs.uiowa.edu/postdoc/view/4…

Planar Tetracoordinate Oxygen Atoms (Gabriel Merino and co-workers) Gabriela C. Toraya Gabriel Merino #openaccess 🔓 onlinelibrary.wiley.com/doi/10.1002/an…

How do we compare stacking configurations in 2D materials? In our review in Matter_CP, we propose a unified framework to classify bilayer honeycomb materials from Groups 13–15. 👏 Congratulations to Jessica Arcudia for leading this work! sciencedirect.com/science/articl… #BilayerStacking

Our latest work in Angewandte Chemie explores planar tetracoordinate oxygen atoms, identifying 35 global minima stabilized by Group 13 elements. A huge congratulations to Gabriela C. Toraya for leading this study Jorge Barroso Mesías Orozco-Ic Filiberto Ortiz Chi Luis Leyva Parra 🇲🇽 🇨🇱 onlinelibrary.wiley.com/doi/10.1002/an…

🚨MAÑANA🚨 Webinar Cinvestav de Igualdad y Género: "Creando mi propio lenguaje desde y para la fisicoquímica teórica", con Jessica Arcudia (Jessica Arcudia ), ganadora del Premio Weizmann 2024 en el área de Ciencias Exactas. 🗓️ 29 abril 2025 🕛 12:00 h. 🔗bit.ly/WebinarJessica…

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New paper in PCCP! We explore the structure, bonding & reactivity of C₃H₂Au⁺, C₃HAu₂⁺ & C₃Au₃⁺. Cyclic isomers support the Au–H analogy & show aromatic 3c–2e π-bonding. C–Au covalency shapes reactivity. Rafael Islas ErickCerpa luz diego pubs.rsc.org/en/content/art…

Our new The Journal of Physical Chemistry paper explores C₂H₇NO isomers, identifying 8 structures incl. 1-aminoethanol (global min) & methylaminomethanol. Rotational constants and conformer data support ISM searches for N/O organics. Lisset Noriega Filiberto Ortiz Chi Luis Ortiz pubs.acs.org/doi/10.1021/ac…

Excited to announce that #WATOC2028 will take place in Mérida, Yucatán, Mexico 🇲🇽, from January 9 to 14, 2028! #TheoreticalChemistry #ComputationalChemistry #WATOC If you are interested, please fill the next form: forms.gle/PapjgzkMWKXeVN…