Lab of Comp Chem and Mol Graph
@labccmg
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We're the Laboratory of Computational Chemistry and Molecular Graphics at Chemistry Dept. @dipchim University of Torino Italy: Piero Ugliengo, Marta Corno &co!
Torino, Italy
Joined March 2022
RT @astrochemdisc: This month's episode of Astrochem Coffee is out now and packed with guests! Co-hosts @Ilsastellar and Alex Byrne interv….
coffee.astrochem.net
Catch our latest episode directly below. Find other ways to listen, get all the papers and info from our episodes and catch up on those you missed, and find links to other useful resources all via...
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RT @Chitel2024: It's a go for the third day at #chitel2024! We start the day with Prof. S. Pantaleone (@labccmg) on the modelisation of dru….
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Binding energies of ethanol and ethylamine on interstellar water ices: synergy between theory and experiments - now published in Physical Chemistry Chemical Physics
pubs.rsc.org
Experimental and computational chemistry are two disciplines used to conduct research in astrochemistry, providing essential reference data for both astronomical observations and modeling. These...
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RT @UnvrsoRecondito: ¿DE DÓNDE VIENE LA LUNA?. Ese orbe que nos ha acompañado por siempre, iluminando nuestras noches y encendiendo la imag….
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RT @marta_bee: Here we are, folks -> Exploration of the Conformational Scenario for α-, β-, and γ-Cyclodextrins in Dry and Wet Conditions,….
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You are all invited to the free International workshop and NIS Colloquium “Heterogeneous catalysis based on naturally occurring materials: from prebiotic chemistry to applications” in Torino, 28/11. Register: @RimolaAlbert #prebioticchem #hydroxyapatite.
Join us at the free workshop: “Heterogeneous catalysis based on naturally occurring materials: .from prebiotic chemistry to applications” in presence 28/11 Torino, "aula Copernico" Department of Molecular Biotechnology and Health Sciences, via Nizza 52,
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Well done @marta_bee and thanks to the amazing coworkers @Riccardo_Ferre Dr Stefano Pantaleone Cecilia Gho Prof Valentina Brunella #cyclodextrinmodelling #multiscale #quantummechanics #xTB #DFT #hostguest #polymers #scienceisfun #scienceisexchange.
I had the great pleasure to present our recent and challenging work on cyclodextrin modelling to a stimulating and inspiring audience at Precious workshop both for science and friendships! #compchem #cyclodextrin #modelling #xtb
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RT @marta_bee: Computational Study on the Water Corrosion Process at Schreibersite (Fe2NiP) Surfaces: from Phosphide to Phosphates | ACS Ea….
pubs.acs.org
Phosphorus (P) is a fundamental element for whatever form of life, in the same way as the other biogenic macroelements (SONCH). The prebiotic origin of P is still a matter of debate, as the phospha...
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RT @marta_bee: Adsorption of HCN on cosmic silicates: a periodic quantum mechanical study - now published in Physical Chemistry Chemical Ph….
pubs.rsc.org
Hydrogen cyanide (HCN) represents a small but widely distributed fraction of the interstellar molecules, and it has been observed in all the environments characterizing the formation of a new...
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The XLIX Congress of the Physical Chemistry Division of the Società Chimica Italiana was held from Monday 4th to Thursday 7th September in Torino, with great contributions from many scientists all over Italy but not only! Thanks to everyone who attended!
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The XLIX Congress of the Physical Chemistry Division of the Società Chimica Italiana has just started with a gorgeous welcome by our #labccmg leader Prof Piero Ugliengo! #congress #physicalchemistry #societachimicaitaliana #Torino @unito @dipchim
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What about quantum mechanics? #astrobiology #quantummechanics #compchem #Schrödinger #harteee #fock #born #Oppenheimer #compchem.
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Piero is always a superstar! #compchem #astrobiology #astro #astrochemistry #molecularsimulation #modelling.
Secondo giorno del VII Convegno della Società Italiana di Astrobiologia. Apre il Prof. Piero Ugliengo @labccmg
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RT @NBalucani: Don't forget: for a reaction to take place in the interstellar medium, it must be exothermic 😉 .📡⚗️🌟.@DawnOrganic @labccmg….
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During ACO Congress we had also the pleasure to listen to Stefano, our wizard of ab-initio molecular dynamics, and more! No more secrets for hydrogen on ice… amazing! #compchem #panta #aco2023 #astrochemistry #aimd #hydrogenation #energydissipation #ice
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RT @dariocampisi: My PhD advisor always taught me: "Do fun things with fun people". This is definitely the case at Chemical Processes in So….
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Now it’s time for the youngest: Vittorio @VittorioB_ has clearly (and poetically!) explained how to accurately compute binding energies for S-bearing species @beyond_2p @NBalucani Well done! #compchen #phdstudents #astrochemistry #ACO #ACOcongress #petitprince
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How about prebiotic phosphorous on the early Earth? Marta has told us something about Schreibersite and water by #compchem at the #ACO Congress @marta_bee, recalling that science at #labccmg is real fun thanks to our young people!
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