Out now in @pccp.rsc.org 🥳: Deborah tackles the challenge of computing the VCD spectra of tartaric acid and the dianionic tartrate in water. She shows that few water molecules and a micro-solvation approach are not sufficient! doi.org/10.1039/D5CP... @solvationsci.bsky.social #VCDspectroscopy

We are welcoming submissions to a themed collection on current advancements in photonics and spectroscopy to celebrate Prof. Amitava Patra's 60th birthday 🥳 #chemsky Submit your work to PCCP or Nanoscale @nanoscale-journals.rsc.org before 30 April 2026! 📅 More info:🔗 www.rsc.org/publishing/j...

There's still time to join us in Edinburgh for the Emerging materials for optoelectronics applications Faraday Discussion! #Chemsky 🚨 ORAL ABSTRACT DEADLINE EXTENDED! Submit yours by 27 October 2025 📅 Mark your calendars for 1 - 3 July 2026 More info ➡ www.rsc.org/events/detai... @rsc.org

We are welcoming submissions to a themed collection on current advancements in photonics and spectroscopy to celebrate Prof. Amitava Patra's 60th birthday 🥳 Submit your work to Nanoscale or @pccp.rsc.org before 30 April - more info here 🔗 www.rsc.org/publishing/j...

We are very grateful to be welcomed to IISc Bengaluru for another fantastic meeting of the PCCP Editorial Board. Many thanks to Prabal Maiti and colleagues for hosting, and to the RSC India office for their support. We look forward to welcoming the PCCP community to tomorrow's SPHERE symposium!

Excited to share that the Editorial that I co-wrote with @anoukrijs.bsky.social celebrating the 25th anniversary of PCCP is published online and free to access 🥳 Give it a read, and enjoy free access to all 104 fantastic articles in our anniversary collection until January 2026! #chemsky

PCCP is delighted to to celebrate our 25th Anniversary with you with a collection of more than 100 insightful articles from the PCCP community #chemsky All papers are now online and free to access until 10th January 2026! Read the full collection: pubs.rsc.org/en/journals/...

Congratulations to Stefan Kast & team: with his publication on "The euroSAMPL1 pKa blind prediction [...] challenge", he not only made it onto the cover of @pccp.rsc.org, but also onto the hotlist of the most read articles of 2025 🏆. https://t1p.de/trnkw ##RSCPhys

Just accepted in @pccp.rsc.org 🎉 #chemsky #compchemsky In Lorenzo's @lostaino.bsky.social new paper we follow the nonadiabatic dynamics of meta-Methylbenzophenone! Together with @tqdspec.bsky.social we combine quantum dynamics and advanced X-ray spectroscopy techniques: doi.org/10.1039/D5CP...

New articles have been added to our 6th ERC Grantees Conference 2025 themed collection - read them here! pubs.rsc.org/en/Jour... This cross-journal collection showcases work from the speakers and delegates from this year’s 6th ERC Grantees Conference (Porvoo, Finland, 10-12 June 2025).

📢 Themed Collection in memory of David R. Yarkony: Nonadiabatic events & conical intersections 🧪 Highlighting recent advances in nonadiabatic processes, conical intersections & their impact across physical chemistry. 🗓️ Submit by 1 June 2026 🔗 blogs.rsc.org/cp/2025/10/0... @rsc.org #chemsky #PCCP

The DBG, a co-owner society of PCCP, invites nominations for the following prizes in physical chemistry by Oct 15, 2025 #chemsky • Ewald Wicke Prize • Nernst-Haber-Bodenstein Prize • van 't Hoff Prize • Agnes Pockels Doctoral Prize (self-nomination) More information: www.bunsen.de/awards

Yee Chit Wong of @uni-of-warwick.bsky.social has won the Digital Discovery and @pccp.rsc.org poster prize at the Materials and Molecular Modelling Hub Conference, for "First-Principles Defect and Migration Barrier Studies of Correlated Oxides with Machine Learning Perspectives". Congratulations!

Is sulphur an odd guy in #molecular_crystals? Read more in our @pccp.rsc.org paper: pubs.rsc.org/en/content/a...

Glad to hear that the our work on azulene dimers was selected as the 2025 HOT PCCP article! @pccp.rsc.org doi.org/10.1039/D5CP...

Out now and open access in PCCP! 🔓

We’re thrilled to announce that 𝐏𝐫𝐨𝐟. 𝐊𝐚𝐢 𝐒. 𝐄𝐱𝐧𝐞𝐫 has been selected as the 𝟐𝟎𝟐𝟓 𝐏𝐂𝐂𝐏 𝐄𝐦𝐞𝐫𝐠𝐢𝐧𝐠 𝐈𝐧𝐯𝐞𝐬𝐭𝐢𝐠𝐚𝐭𝐨𝐫 𝐋𝐞𝐜𝐭𝐮𝐫𝐞𝐬𝐡𝐢𝐩 𝐀𝐰𝐚𝐫𝐝 recipient 🎉 🔗 blogs.rsc.org/cp/2025/09/0... @rsc.org @unidue.bsky.social #PCCP #EmergingInvestigator #PhysicalChemistry #ChemicalPhysics #BiophysicalChemistry

Check out the PCCP covers for this month! #SciArt #ChemArt Find out more about the articles that inspired them and view the full Cover Gallery on our blog below 🎨🧪 blogs.rsc.org/cp/2025/06/0... @rsc.org

There’s still time to submit your computational chemistry, catalysis, and materials science papers to our collection honouring Prof. Jumras Limtrakul! 📢 #compchemsky 📅 Deadline extended until 30th October 2025 Read the first papers published in the collection: pubs.rsc.org/en/journals/...

(7/23) Our article has been published in PCCP (@pccp.rsc.org) today. doi.org/10.1039/D5CP...

Glad to share that our work recently published in @pccp.rsc.org pubs.rsc.org/en/content/a...

Digital Discovery and @pccp.rsc.org are proud to join other RSC journals in sponsoring prizes at this year's MMM Hub Conference. The conference runs 15-18 September in at Keele University. Early bird registration closes 3 August - find out more at the link below: thomasyoungcentre.or...

Did you know that Q-Chem's TD-DFT engine has spin-orbit coupling? Calculate L- and M-edge X-ray and XUV spectra at very low cost! doi.org/10.1039/D5CP...

🎉Congratulations to the SPIDoc's teams and colleagues for the recent publication "X-ray spectroscopy meets native mass spectrometry: probing gas-phase protein complexes" 👉https://doi.org/10.1039/D5CP00604J 🔥Selected as 2025 Physical Chemistry Chemical Physics HOT article🔥 @rsc.org

Congratulations to Q-Chem developers and collaborators on their PCCP Hot Paper! From author Xiao Liu: "In this work, we present a thorough investigation into the unexpectedly large RMSDs for the ωB97X-D3 functional previously reported on the RDB7 dataset (~12,000 reactions)..." (🧵1/4)

📣 PUBLICATION AND COVER ALERT! "Structural stability of chromophore-grafted Ubiquitin mutants in vacuum" 🎉 Congratulations to SPIDoc's and colleagues! Read full article here 👉 doi.org/10.1039/D5CP... @rsc.org ✨ COVER @pccp.rsc.org 👇

Our paper in Phys. Chem. Chem. Phys. @pccp.rsc.org with @runofthephill.bsky.social on MOF self-assembly simulations is online now, a.k.a. Lego® for MOFs. We demonstrate the spontaneous assembly of rationally designed, coarse-grained, rigid-body models of 34 distinct MOF nets, ...

Announcing the publication of our latest paper – “Mechanistic Diversity in the Reactive Adsorption of Chlorine Trifluoride on Monohydrogenated Silicon” – free to download from @pccp.rsc.org #ChemSky #CompChemSky

Big thanks to the @pccp.rsc.org Editorial Board for selecting our recent article on spin-orbit coupling in multireference coupled-cluster theory (doi.org/10.1039/D5CP...) for the 2025 HOT PCCP articles list. We appreciate the distinction.

What's HOT in physical chemistry and chemical physics? Find out today in our PCCP 2025 HOT article collection 🔥 Read them for free here: pubs.rsc.org/en/journals/...

Publishing your research in a themed collection boosts your discoverability. Get your next article seen in our new cross-journal collection that celebrates the International Year of Quantum Science and Technology. Learn more details ➡️ buff.ly/g5CdDlM #ChemSky

Hey #chemsky and #compchemsky - we're welcoming submissions to this @pccp.rsc.org Festschrift on topics including:   • Molecular reaction dynamics   • Computational chemical dynamics   • Potential energy surfaces & free energy landscapes   • Electronic structure theory & computation

We're welcoming submissions to a new Festschrift focusing on the structure and dynamics of chemical systems in honour of N Sathyamurthy for his 75th birthday! Submission deadline 30 November 2025 Find out more about the collection's scope and details at blogs.rsc.org/cp/2025/06/3...

Another great talk from a @pccp.rsc.org Associate Editor at #WATOC2025, this time it's Lars Goerigk presenting work on time-dependent long-range corrected double-hybrids! #compchemsky

🤔 What if classic probability puzzles could be encoded in chemistry? We mapped the Monty Hall problem into a deterministic chemical reaction network using mass-action kinetics. Curious? ... then check out our latest paper with @wenzhulab.bsky.social in @pccp.rsc.org doi.org/10.1039/D5CP...

Great to see our @pccp.rsc.org Deputy Chair Fritz Schaefer giving the journal a shout-out during his talk at #WATOC2025 today #compchem An iconic quote from his talk: "I thought ten years ago B3LYP was over, but it's coming back!"

We're delighted to be sponsoring #WATOC2025 this week, and if you're in Oslo, make sure to say hi to Bee at the @rsc.org booth - they're here to chat all things physical chemistry, chemical physics and biophysics!

Check out the PCCP covers for this month! #SciArt #ChemArt Find out more about the articles that inspired them and view the full Cover Gallery on our blog below 🎨🧪 blogs.rsc.org/cp/2025/06/0...

Introducing speakers 🎤 🔸 @ed-gardner.bsky.social, Deputy Editor, @pccp.rsc.org, @greenchemistry.rsc.org, @faradaydiscussions.rsc.org 🔹 @brianli.uk, Publishing Editor, @jmaterchem.rsc.org, @nanoscale-journals.rsc.org. @iupac.org Subcommittee on Publications, @iycnglobal.bsky.social Executive Board

Join us this October in Bangalore at the PCCP Symposium on Physics for Sustainability: Health, Energy, and Environment 🧪 📍 Indian Institute of Science (IISc), Bangalore 📆 16–18 October 2025 📢 Abstract Submission Deadline: 30 June 2025 ➡️ Find out more: rsc.li/SPHERE #chemsky @rsc.org

Less than a week to go until WATOC 2025 - will I be seeing anyone from #compchemsky there?

Happy to share our latest work on information transfer in a MAPK signalling cascade, now published in the Physical Chemistry Chemical Physics Journal. @pccp.rsc.org @rsc.org Great work by my Masters student, Harshita! t.co/MryP0VywiM

Happy to share our recent paper on diblock and triblock copolymer bilayers for nanopore sensings published in @pccp.rsc.org ! Congrats! Kihara-kun and Sato-kun. doi.org/10.1039/D4CP...

Our work on (local) orbital decomposition of NCI and dispersion interaction densities (o-NCI and o-DID, respectively) has been published in @pccp.rsc.org! #chemsky pubs.rsc.org/en/content/a... Thank you everyone who contributed, most importantly Xaiza and Maxime!🥳

Many thanks to @zifeilu.bsky.social for this excellent write-up of a @pccp.rsc.org paper that crossed my desk and made me go "wow!" - some really cool research! #compchemsky The article is #OpenAccess here ⬇ doi.org/10.1039/D5CP...

Congratulations to the @rsc.org poster prize winners at APATCC11 in Kobe, Japan! 🎉 @pccp.rsc.org prize: Mridula Choudhary, IIT Hyderabad, India @digital-discovery.rsc.org prize: Rei Oshima, Waseda University, Japan #chemsky #compchemsky

💥RSC CNN Paper of the Week💥 Balancing fracture toughness and ionic conductivity in lithium thiosilicate glassy electrolytes Smedskjaer * (Aalborg University, Denmark ) Sørensen, Physical Chemistry Chemical Physics, 10.1039/d5cp00285k @pccp.rsc.org #chemsky #nanosky

Check out this #OpenAccess paper, part of the themed collection in PCCP celebrating Bunsen-Tagung 2024: High-Resolution Structural Methods in Material and Life Sciences 🔓 #chemsky

🚨 The fruitful collaboration between our RTG and Berkeley brings new results! Our PhD student Melinda Nolten, with collaborators, shows that just a few percent DMSO can tune guest encapsulation in a nanocage by shifting entropy and altering host–solvent–guest interactions. 🔗 doi.org/10.1039/d5cp...

Great to see this collaboration with the Temps group out in @pccp.rsc.org with our contributions led by Tjorge and Marc! We report that spin-crossover competes with photodecarbonylation when an Fe-CPOne is irradiated. Thanks to @dfg.de for funding pubs.rsc.org/en/content/a...