Boris Maryasin

Markus Oppel makes supercomputers sweat, molecules dance in the light, and shows how a single sulphur atom can turn sunlight into a cell-damaging threat.

Read the full story in our new blog, “We can bring any computer to its knees”: eurocc-austria.at/en/blog/we-c...

#HPC #supercomputing

Computational Insights into the Mechanism of Lewis Acid‐Catalyzed Alkene‐Aldehyde Coupling The Lewis acid-catalyzed coupling of alkenes and aldehydes presents a modern, versatile synthetic alternative to classical carbonyl addition chemistry, offering exceptional regio- and stereoselectivi...

We were fascinated by the incredible Lewis Acid-Catalyzed Alkene-Aldehyde Coupling from
@MaulideLab (pubs.acs.org/doi/full/10....) and couldn’t resist diving deeper into its mechanism! Check it out! @univie.ac.at chemistry-europe.onlinelibrary.wiley.com/doi/10.1002/...

Diastereoselective hydride transfer enables a synthesis of chiral 1,5-carboxamido-trifluoromethylcarbinols The deployment of fluorinated functional groups has become a widespread tool in medicinal chemistry due to the impact of fluorine on lipophilicity and metabolic stability. Among these compounds, enant...

Chemical reactions may seem like pure magic, but unraveling their mechanisms deepens the wonder! Feel the magic in our latest study! pubs.rsc.org/en/content/a...

Enantioconvergent Negishi Cross‐Couplings of Racemic Secondary Organozinc Reagents to Access Privileged Scaffolds: A Combined Experimental and Theoretical Study An enantioconvergent palladium-catalyzed Negishi cross-coupling of aryl electrophiles with racemic secondary organozinc reagents has been developed. This transformation enables access to enantioenric...

Optimizing geometries of complex intermediates and transition states can be quite a challenge, especially with large molecules—but we’re not afraid to tackle it! 😅 onlinelibrary.wiley.com/doi/10.1002/...

Congratulations!

Calculations and experiments come together, creating a synergy that elevates our understanding of new reactions! Have you ever pondered the functionalization of polyols? We've got some news to share! @univie.ac.at
onlinelibrary.wiley.com/doi/10.1002/...

We've all heard of paracetamol, but have you ever wondered about its synthesis mechanism using organoselenium chemistry? Or considered the use of sulfur as an alternative? Explore our new study for answers! chemistry-europe.onlinelibrary.wiley.com/doi/abs/10.1...