Gerard Comas

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Gerard Comas

Gerard Comas

@gerardcomas7

PhD in computational chemistry at IQCC

Llagostera Katılım Haziran 2015
609 Takip Edilen170 Takipçiler
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Adrià Luria 🐢
Adrià Luria 🐢@copdullracional·
La setmana passada ens va arbitrar Martínez Munuera, aquesta Soto Grado, i la que ve Francisco Franco.
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J.G.
J.G.@stradlin_·
El verano que fue una pesadilla Si me acuerdo me duele todavía
J.G. tweet media
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Gerard Piqué
Gerard Piqué@3gerardpique·
Quin plaer.
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Chemistry World
Chemistry World@ChemistryWorld·
By linking electronic structure to inductive and resonance effects, a new framework can help quantify inductive and resonance effects exerted by substituents in aromatic systems, letting chemists more accurately predict Hammett parameters. chemistryworld.com/news/bridging-…
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Joan Grèbol
Joan Grèbol@jgrebol10·
My first article is out now! Exploring the use of Hilbert-space schemes for the calculation of electronic aromaticity indicators, so new systems can be studied. Also, we introduce our own Python code to compute them, with highly efficient algorithms. Check it out!
ChemEurJ: Chemistry - A European Journal@ChemEurJ

Can #Aromaticity Be Evaluated Using Atomic Partitions Based on the Hilbert-Space? (@jgrebol10, @pesalse and @ematito at @donostiachemdev @DIPCehu @iqccUdG) #OpenAccess onlinelibrary.wiley.com/doi/10.1002/ch…

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Martí Gimferrer
Martí Gimferrer@mgimferrer·
Chemical bonding characterization using APOST-3D: Official release of the code in @JChemPhys, and runs in parallel!🥳🥳 Special thanks to @pesalse for the opportunity, and all researchers involved in making it evolve. Soon more to come! pubs.aip.org/aip/jcp/articl…
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