Computational Chemist. Postdoc at Cinvestav Mérida. I'm passionate about reaction mechanisms. Discovering God through Science. Seventh Day Adventist.
Joined August 2016
- Tweets 527
- Following 420
- Followers 344
- Likes 2,007
24 Photos and videos
Pinned Tweet
14 Oct 2024
Hi @LatinXChem!
We address a significant problem: The isomerization of cubane to cuneane that has persisted for 50 years!
This is my work ‘Ag(I)-Catalyzed Rearrangements of Cubane and Homocubane’ at #LatinXChem24
#LatinXChemComp
#Comp187
@CINVESTAVMERIDA
@theochemmerida
#DFT
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Fernando Murillo retweeted
14 Oct 2025
Our latest study explores the PES of the dianion B10H14(2-), revealing a more stable B10H10(2-)⋯2H2 complex, 21.5 kcal/mol lower in energy than the known arachno structure.
Kudos to @gerardo0339 @murillofmc @FOrtizChi @jbarrozom and Alejandro Vásquez
doi.org/10.1515/pac-2025-052…
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Fernando Murillo retweeted
2 Oct 2025
Zeise's salt, the first organometallic compound synthesized (1825), is σ-aromatic.
This study is the result of a fruitful collaboration with Ankur @AnkurKGuha, Marieta @mafernan9, and Mesias @MesiasOrozco, and has just been published in @InorgChem
doi.org/10.1021/acs.inorgche…
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Fernando Murillo retweeted
3 Sep 2025
Exciting news! Eyringpy 3.0 is now available. This release adds Variational Transition State Theory (VTST) and the Hindered Rotor Model for kinetic rate constants.
@VioletaDzib
@alanqf22
@FOrtizChi
theochemmerida.org/eyringpy
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Fernando Murillo retweeted
19 May 2025
Our new @JPhysChem 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.
@1LissNoor @FOrtizChi @LuisOrt42601377
pubs.acs.org/doi/10.1021/acs…
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Fernando Murillo retweeted
19 May 2025
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/arti…
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Fernando Murillo retweeted
6 Mar 2025
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/…
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Fernando Murillo retweeted
6 Mar 2025
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/ar…
#BilayerStacking
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Fernando Murillo retweeted
18 Feb 2025
🎉 We had an amazing time at @Aromaticity2025 a couple of weeks ago! Here’s a collection of great memories. Huge thanks to @theochemmerida, @miquelsola, and @OttossonGroup for making it all possible! 🙌 #Aromaticity
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Fernando Murillo retweeted
11 Feb 2025
From #LatinXChem, we celebrate the talent and perseverance of women and girls in science. To all of our researchers, your contribution is invaluable. There is still a long way to go to close the gender gap in STEM, but every girl who dreams of science brings us one step closer.
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Fernando Murillo retweeted
28 Jan 2025
Next up at @Aromaticity2025 is Théo P. Gonçalves @KCCkaust with an amazing lecture on aromaticity-active ligands in #catalysis.
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Fernando Murillo retweeted
28 Jan 2025
I wonder if asphaltenes can become a treasure trove for future studies of aromaticity? @Aromaticity2025
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Fernando Murillo retweeted
28 Jan 2025
Today in the @Aromaticity2025 congress in Mérida (Mexico) @silviaescayola presented part of the work he did during her PhD in the @DIMOCAT_iqcc and @TheoChem_EHU groups on double aromaticity compounds. Great presentation!
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Fernando Murillo retweeted
28 Jan 2025
Starting yesterday and over the next few days, we will immerse ourselves in an exciting program featuring 44 lectures and discussions. Speakers from institutions worldwide will share their latest research and insights on #aromaticity. The event will continue until next Thursday.
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Fernando Murillo retweeted
4 Nov 2024
What is happening? HandMol is happening!
Coming soon, multiuser, immersive, interactive simulations.
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Fernando Murillo retweeted
14 Oct 2024
Hi @LatinXChem!
We address a significant problem: The isomerization of cubane to cuneane that has persisted for 50 years!
This is my work ‘Ag(I)-Catalyzed Rearrangements of Cubane and Homocubane’ at #LatinXChem24
#LatinXChemComp
#Comp187
@CINVESTAVMERIDA
@theochemmerida
#DFT
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Fernando Murillo retweeted
14 Oct 2024
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
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Fernando Murillo retweeted
14 Oct 2024
Hi @LatinXChem, presenting my work ‘Materiales carbonosos obtenidos de hojas de chaya para la remoción de colorantes’ at #LatinXChem24 #LatinXChemNanoMat #NanoMat094
@mafernan9
@GeonelGattorno
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Fernando Murillo retweeted
12 Oct 2024
¡Bienvenidos Gaby, @SanchezMarycruz, Patty, Javibi, Juan Diego y Soberanis al grupo! Ellos participan en el Programa de Estancias Cortas de Investigación de la @uady_mx
Agradezco a @1LissNoor, @murillofmc y Filiberto por todo su apoyo en la dirección de estos proyectos
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Fernando Murillo retweeted
14 Oct 2024
Hi @LatinXChem, presenting my work 'Are Au(I)···Ir(I) Interactions Feasible? A Computational and Topological Study' at #LatinXChem24 #LatinXChemComp #Comp048 #gold #iridium #metallophilia
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Fernando Murillo retweeted
14 Oct 2024
Hi @LatinXChem, I present my work 'Formation of Complex Organic Molecules in the Interstellar Medium: Computational Study of Oxalic Acid and Its Isomers' at #LatinXChem24 #LatinXChemComp #Comp021 this was carried out under the direction of @1LissNoor and @theochemmerida .
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