Gabriela C. Toraya

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 @cerpa_erick @luzdiego11 pubs.rsc.org/en/content/art…

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

Our latest work in @angew_chem explores planar tetracoordinate oxygen atoms, identifying 35 global minima stabilized by Group 13 elements. A huge congratulations to @gabyrCT for leading this study @jbarrozom @MesiasOrozco @FOrtizChi @leyvaluis177 🇲🇽 🇨🇱 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 @JessArcudia for leading this work! sciencedirect.com/science/articl… #BilayerStacking

Hi @LatinXChem, presenting my work ‘Molecular structure clustering based on morphological patterns using machine learning tool’, Good start of the week to everyone. #LatinXChem24 #LatinXChemComp #Comp117 #CinvestavMerida

Hi @LatinXChem, presenting my work "Implementation of RRKM theory in Eyringpy for the calculation of the rate constant of unimolecular reactions" #LatinXChem24 #LatinXChemComp #Comp044 @CINVESTAVMERIDA @theochemmerida If you love chemical kinetics, this poster is for you.

Hi @LatinXChem, I'm Fernando Martinez-Villarino, doctoral student in @CinvestavFisApl. In this work presents a preliminary part of my doctoral thesis, in which I'm developing a code capable of reading molecular coordinate files, identifying molecular rings...

Hi @LatinXChem, I am presenting my work, "Towards a KNIME workflow for SAR and QSAR." #LatinXChem24 #LatinXChemComp #Comp069 @theochemmerida @karma_twitt @CINVESTAVMERIDA

Think you know orthocarboxylic acids?🤔 Meet Ethane-1,1,1-triol and its structural isomers in my work ‘Revealing the unlikely’ at @LatinXChem Curious about which is the most stable? Find out in the poster below!👇#LatinXChem24 #LatinXChemComp #Comp042 @theochemmerida

Excited to share our latest in @angew_chem: we predicted and experimentally confirmed a planar tetracoordinate silicon in the gas phase! Thanks to all co-authors, especially Prof. Cui and Prof. Zheng. 🇨🇳🇲🇽 🍾🥳🎉 onlinelibrary.wiley.com/doi/10.1002/an…

Congrats to @Emilio_pina_b, the newest group member, for participating in Verano en la Ciencia SIIDETEY under the supervision of @1LissNoor. He presented his project, "Formation of Complex Organic Molecules in Interstellar Space: Computational Study of Oxalic Acid & Its Isomers."

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 @uandresbello. It’s the perfect prize!

#Aromaticity2025 Some of the confirmed speakers Albert Artigas F. Matthias Bickelhaupt @fmbickelhaupt Juan Casado @Casado_Lab Fernando Cossío @CossioFp Registration closes October 15, 2024 Visit theochemmerida.org/aromaticity2025 for the full speaker list and info.

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

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_A_C_S A collaboration between groups in 🇨🇳 🇨🇱 🇺🇸 🇲🇽 pubs.acs.org/doi/10.1021/ja…

Our paper “Aromaticity: Quo Vadis” is one of the most popular articles of 2023 in @ChemicalScience! pubs.rsc.org/en/content/art… #aromaticity @miquelsola @isra_group @CForoutanNejad @HLAGroupOx @CossioFp @jishan_wu @JudyWuChem @AlbeiroARC28 @marinacuropi

Two papers in this @ChemicalScience collection! The second one is “Planar pentacoordinate s-block metals” pubs.rsc.org/en/content/art… @SudipPan14 @MesiasOrozco @gabyrCT @william_tiznado @AnkurKGuha Zhong-hua Cui

El @CINVESTAVMERIDA te espera en su Primer Encuentro de Posgrados, el 29 y 30 de enero en el Gran Museo del Mundo Maya. Si estás en los últimos semestres o eres egresado de Física, Química, Biología, Ingenierías, o áreas afines, no te pierdas este evento! 🚀🔬🎓

Kudos to our group members for their contributions at @LatinXChem 2023! Our group showcased 11 posters covering diverse topics. @fernandomv301 @Silvannasa @gerardo0339 @1LissNoor @gabyrCT @alanqf22 @CarlosLoast @murillofmc @ElierE13 @LuisOrt42601377 @AURAXIMENAGH