Lab of Comp Chem and Mol Graph @labccmg

We're the Laboratory of Computational Chemistry and Molecular Graphics at Chemistry Dept. @dipchim University of Torino Italy: Piero Ugliengo, Marta Corno &co! sites.google.com/unito.it/labcc… Torino, Italy Joined March 2022

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AstrochemCoffee @astrochemdisc

a year ago

This month's episode of Astrochem Coffee is out now and packed with guests! Co-hosts @Ilsastellar and Alex Byrne interview Jessica Perrero, @Divs_astrowise, and Théo Guillaume about their science, and we take a look at FTMW history in the percolator! coffee.astrochem.net

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Chitel 2024 • Namur 🇧🇪 @Chitel2024

a year ago

It's a go for the third day at #chitel2024! We start the day with Prof. S. Pantaleone (@labccmg) on the modelisation of drug 💊 delivery systems

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Lab of Comp Chem and Mol Graph @labccmg

a year ago

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/en/content/art…

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Universo Recóndito @UnvrsoRecondito

2 years ago

¿DE DÓNDE VIENE LA LUNA? Ese orbe que nos ha acompañado por siempre, iluminando nuestras noches y encendiendo la imaginación de amantes, poetas y científicos por igual ¿De dónde ha venido? Ha habido varias hipótesis que buscan explicarlo. --- © Agencia Espacial Japonesa (JAXA)

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Marta Corno @marta_bee

2 years ago

Here we are, folks -> Exploration of the Conformational Scenario for α-, β-, and γ-Cyclodextrins in Dry and Wet Conditions, from Monomers to Crystal Structures: A Quantum-Mechanical Study mdpi.com/2577782 #mdpiijms via @IJMS_MDPI #compchem #cyclodextrins #conformations #qm

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Lab of Comp Chem and Mol Graph @labccmg

2 years ago

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: shorturl.at/ekCM5 @RimolaAlbert #prebioticchem #hydroxyapatite

Marta Corno @marta_bee

2 years ago

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Lab of Comp Chem and Mol Graph @labccmg

2 years ago

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

Marta Corno @marta_bee

2 years ago

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Marta Corno @marta_bee

2 years ago

Computational Study on the Water Corrosion Process at Schreibersite (Fe2NiP) Surfaces: from Phosphide to Phosphates | ACS Earth and Space Chemistry pubs.acs.org/doi/10.1021/ac… Stefano Pantaleone rocks! Well done @labccmg @NBalucani @RimolaAlbert @QuantumGrain #compchem #schreibersite

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Marta Corno @marta_bee

2 years ago

Adsorption of HCN on cosmic silicates: a periodic quantum mechanical study - now published in Physical Chemistry Chemical Physics pubs.rsc.org/en/content/art… Well done Niccolò Bancone &co! @labccmg @QuantumGrain @RimolaAlbert #compchem #prebioticchem #hcn #forsterite #cosmicgrains

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Lab of Comp Chem and Mol Graph @labccmg

2 years ago

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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Lab of Comp Chem and Mol Graph @labccmg

2 years ago

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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Lab of Comp Chem and Mol Graph @labccmg

2 years ago

#Clima ed #energia: quali #scelte per il #futuro? In occasione del 49 Congresso Nazionale dei Chimico Fisici, cercheremo risposte martedì 5 settembre alle 18 nell’aula Magna della Cavallerizza Reale @unito insieme a @CentroScienza Siete tutti invitati! centroscienza.it/settimanedella…

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Lab of Comp Chem and Mol Graph @labccmg

2 years ago

What about quantum mechanics? #astrobiology #quantummechanics #compchem #Schrödinger #harteee #fock #born #Oppenheimer #compchem

Nadia Balucani @NBalucani

2 years ago

What about quantum mechanics? #astrobiology #quantummechanics #compchem #Schrödinger #harteee #fock #born #Oppenheimer #compchem

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Lab of Comp Chem and Mol Graph @labccmg

2 years ago

Piero is always a superstar! #compchem #astrobiology #astro #astrochemistry #molecularsimulation #modelling

Nadia Balucani @NBalucani

2 years ago

Piero is always a superstar! #compchem #astrobiology #astro #astrochemistry #molecularsimulation #modelling

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Nadia Balucani @NBalucani

2 years ago

Don't forget: for a reaction to take place in the interstellar medium, it must be exothermic 😉 📡⚗️🌟 @DawnOrganic @labccmg The GRETOBAPE Gas-phase Reaction Network: The Importance of Being Exothermic doi.org/10.3847/1538-4… via @AAS_Publishing

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Lab of Comp Chem and Mol Graph @labccmg

2 years ago

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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Dario Campisi @dariocampisi

2 years ago

My PhD advisor always taught me: "Do fun things with fun people". This is definitely the case at Chemical Processes in Solar Type Forming Regions 2023 conference with Profs Nadia (@NBalucani) and Piero (@labccmg)

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Astrochemistry@Arcetri @AAstrochemistry

2 years ago

Virtual Reality, Real Science @ Toulouse ACO conference #astrochemistry

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Lab of Comp Chem and Mol Graph @labccmg

2 years ago

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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Lab of Comp Chem and Mol Graph @labccmg

2 years ago

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!