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Very grateful to PCCP for showcasing the latest published work of QCT_USFQ as the back cover of the journal's 2025 issue 5. Link to the paper: doi.org/10.1039/D4CP04…

. PCCP (open) 1H isotropic chemical shift metrics for NMR crystallography of powdered molecular organics, Fatemeh Zakeria and Cory M. Widdifield* NMR at UofR (Widdifield Group) University of Regina Department of Chemistry & Biochemistry, University of Regina pubs.rsc.org/en/Content/Art… #NMRchat #NMR 🧲

Digital Discovery and PCCP are proud to sponsor poster awards at the upcoming meeting on Uncertainty Quantification in Atomistic Modeling: from Uncertainty-Aware Density Functional Theory to Machine Learning. Find out more and register: cecam.org/workshop-detai…

Our work is highlighted on the front cover of PCCP (cover design by me)! ✨ Larger chalcogens enhance the hydrogen-bond donor strength of amides—but in ureas, bigger is not always better! 🤔 Read it here! 🔓 doi.org/10.1039/D4CP04… Célia Fonseca Guerra Matthias Bickelhaupt The TheoCheM Group (Inactive)

Happy to share our latest paper in PCCP! We characterise a polymetallic seahorse-structure in non-crystalline phases, and found some intriguing cyclisation reactions going on in the gas phase! Many thanks to everyone involved! pubs.rsc.org/en/Content/Art…

We're proud to announce that we are supporting ECAMP15 with poster prizes from PCCP and Nanoscale journal family! Find out more about the event at ecamp15.org and submit your abstracts for the hot-topic talks before 1 March 2025!

Poster deadline extended to 3 March 2025 for our Faraday Discussions #FD_Gels Want to showcase your #supramolecular research? You now have one week to send us your abstract. Contribute to our understanding of this exciting field: rsc.li/gels-fd2025

Check out the fantastic PCCP covers this month! Find out more about the articles that inspired them and view the full Cover Gallery on our blog blogs.rsc.org/cp/2025/02/04/… #ChemArt #SciArt

We are delighted to announce that #PCCP, Chemical Science and Digital Discovery will be supporting WATOC 2025 in Oslo! 📆 Early bird registration has been extended until 𝟐𝟖 𝐅𝐞𝐛𝐫𝐮𝐚𝐫𝐲 𝟐𝟎𝟐𝟓 🔗 Find out more and register: watoc2025.no

Excited to share our work "Ultrafast Excited-state Dynamics of 4-Hydroxychalcone: Role of Intramolecular Charge Transfer and Photoacidity" published in RSC Physical Chemistry Chemical Physics PCCP Read more here: pubs.rsc.org/en/Content/Art…

Check out the fantastic PCCP covers this month! Find out more about the articles that inspired them and view the full Cover Gallery on our blog blogs.rsc.org/cp/2025/03/04/… #ChemArt #SciArt

This recent work is out now PCCP : pubs.rsc.org/en/content/art…

Read just accepted article in PCCP Nanoscale journal family RSC Energy Journals doi.org/10.1039/D5CP00… Anusandhan National Research Foundation CSIR, India IIT Indore @deb

Check out the fantastic PCCP covers this month! Find out more about the articles that inspired them and view the full Cover Gallery on our blog blogs.rsc.org/cp/2025/04/14/… #ChemArt #SciArt

Unraveling the impact of binary vs. ternary alcohol solutions on the conformation and solvation of the SARS-CoV-2 receptor-binding domain - now published in Physical Chemistry Chemical Physics PCCP pubs.rsc.org/en/content/art…

PCCP and Digital Discovery are delighted to be providing poster prizes at EuChemS CompChem 2025 this September! Submit your oral and poster abstracts by 30 April for a chance to present your work at this excellent conference! Find out more at eucompchem2025.unina.it

Congratulations to the Royal Society of Chemistry poster prize winners at APATCC11 in Kobe, Japan! 🎉 PCCP prize: Mridula Choudhary, IIT Hyderabad, India Digital Discovery prize: Rei Oshima, Waseda University, Japan RSC Japan

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-…