Physical Chemistry Chemical Physics - the home for high quality research in physical chemistry, chemical physics and biophysical chemistry at @RoySocChem

Cambridge, UK
Joined March 2009
Social media and connecting with our community – moving on from X. rsc.org/news-events/articles…
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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/brid…
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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/Arti…
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Poster deadline extended to 3 March 2025 for our @Faraday_D #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
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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/D4CP04332D
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The work below is now accepted in @PCCP ! This open-access study about how 91Zr NMR can be applied to investigate local structure in metal-organic frameworks can be found at: doi.org/10.1039/D4CP03704A @westernuScience @zhang_wanli @NationalMagLab @amrit_venkatesh @aaronrossini
A little @ChemRxiv sneak preview of a collaboration between the Huang group @westernuchem @westernuScience, @NationalMagLab, @amrit_venkatesh, and @aaronrossini: using 91Zr NMR spectroscopy to examine zirconium metal-organic frameworks. Great work from first author @zhang_wanli !
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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/Arti…
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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-details/u…
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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/D4CP04042B @CeliaFGuerra @fmbickelhaupt @VU_TheoCheM
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There is still time to join us in Glasgow for the 𝑨𝒅𝒗𝒂𝒏𝒄𝒆𝒔 𝒊𝒏 𝒔𝒖𝒑𝒓𝒂𝒎𝒐𝒍𝒆𝒄𝒖𝒍𝒂𝒓 𝒈𝒆𝒍𝒔 𝑭𝒂𝒓𝒂𝒅𝒂𝒚 𝑫𝒊𝒔𝒄𝒖𝒔𝒔𝒊𝒐𝒏 🚨Poster abstract deadline: 17 February 2025 📅30 April - 2 May 2025 🔗rsc.org/events/detail/77736/… @RoySocChem
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1 more week to submit your abstracts for our meeting in London next year on high-entropy nanoalloys! rsc.org/events/detail/77926/…
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Our latest publication "Enhancing the electronic and photocatalytic properties of (SnO 2) n/(TiO 2) m oxide superlattices for efficient hydrogen production: a first-principles study" is accepted in Physical Chemistry Chemical Physics (@PCCP )
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Replying to @PCCP
@PCCP As the first issue of 2025, the cover showed our work about energy srufaces of molecules based on DFT-EDA values. Hope you enjoy reading our paper.: doi.org/10.1039/d4cp03237c
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The critical role of aromatic residues in the binding of the SARS-CoV-2 fusion peptide to phospholipid bilayer membranes buff.ly/3Dwsz4M (@PCCP)
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