Jacinto Sandoval Lira
@jsandovallira
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Computational Chemist at the Technological University of Huejotzingo
Puebla, México
Joined July 2022
Thrilled to see this work published! A G4 method tweak for better enthalpy predictions in nitro compounds. Great work with @DavidOchoaRese2, @manlsol & J.M. Hernández. From @uthuejotzingo.
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RT @hanpisa: Congrats to Yoojin and Taewan for the publication of Total Synthesis of (+)-Herpotrichones A–C | Journal of the American Chemi….
pubs.acs.org
Epoxyquinoids herpotrichones A–C exhibit unique 6/6/6/6/3 pentacyclic frameworks and potent neuroprotective effects. Inspired by their proposed biosynthetic origins, we completed a total synthesis of...
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RT @uthuejotzingo: 🎶 "Esta canción nos une y ahora tiene video" . 🎥El Jingle de la UTH cobra vida. 👀. 🌟 Ahora en Spotify .
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RT @SarpongGroup: Check out this Article in @cenmag. News on skeletal editing that discusses some of our group's work!..
cen.acs.org
Reactions that alter organic scaffolds by a single atom are already proving useful, but time will tell if they’ll fundamentally change how molecules are made
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RT @lab_fsp: Very proud of this achievement. Due to some controversy on who synthesized firts the natural product, it took so long to fina….
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RT @joaquinbarroso: The second DTK tutorial is live. Try the new GUI DensToolKitViewer to get AIM properties. #CompChem #DTK .
joaquinbarroso.com
Preparing publication quality images from your calculations is essential. To pre-visualize images to get the best orientations of your molecule, DTK2.0 includes two options: a new GUI called DensTo…
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RT @joaquinbarroso: Check the first post of a new tutorial series on working with DensToolKit (DTK) for analyzing electron density through….
joaquinbarroso.com
DensToolKit2 is a versatile open-source, cross-platform, suite of programs for analyzing electronic densities calculated from various sources and getting cool plots for some of the most popular sca…
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RT @MarioBarbatti: Twenty case studies showing theoretical predictions in chemistry that were later confirmed experimentally. #CompChem. h….
degruyterbrill.com
For decades, computational theoretical chemistry has provided critical insights into molecular behavior, often anticipating experimental discoveries. This review surveys twenty notable examples from...
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RT @lab_fsp: Estamos felices de investir a Yosh @JocelynBana con la bata del ingenio, la cual nos permitió fusionar nuestra química de los….
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RT @ChemistryWorld: By linking electronic structure to inductive and resonance effects, a new framework can help quantify inductive and res….
chemistryworld.com
Occupation of effective atomic orbitals used to quantify and predict Hammett parameters
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RT @nuno_bandeira: Software Update: The ORCA Program System—Version 6.0 - Neese - 2025 - WIREs Computational Molecular Science - Wiley Onli….
wires.onlinelibrary.wiley.com
This article describes the philosophy behind- and new features in the ORCA quantum chemistry program suite, version 6.0.
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RT @lab_fsp: TEMPO cation never fails to amaze us, much less NaClO2: together made possible a powerful chemical reaction, and the first tot….
pubs.acs.org
The TEMPO+ (2,2,6,6-tetramethylpiperidine-N-oxyl cation) is a versatile chemical species commonly known as an oxidizing reagent. Nevertheless, its capability to act as a Lewis acid has been recently...
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RT @uthuejotzingo: Firman convenio de colaboración UTH y Ayuntamiento de Chiautzingo para impulsar educación y desarrollo regional. https:/….
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RT @uthuejotzingo: Firman convenio colaboración UTH @Uphmdifusion.La Universidad Tecnológica de Huejotzingo y la Universidad Politécnica H….
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RT @uthuejotzingo: Participa UTH en el fortalecimiento del tejido social de la región Izta-Popo a través de la cultura . *Estudiantes del g….
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