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...

PCCP and @digital-discovery.rsc.org 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 www.eucompchem2025.unina.it

Don't miss your chance to join the 13th International Conference on Chemical Kinetics (ICCK) this June 8-13 in Tahoe City, CA. Submit your poster abstracts and register for the event by May 5 for a chance to present your work at this excellent conference! Find out more at icck2025.lbl.gov #chemsky

Using neutron imaging to help design industrial scale chemical reactors, by Andreas Borgschulte & co-workers in @pccp.rsc.org. #chemsky

This is what makes conferences so good: new collaborations, great people & cool science 🩷 @anzsms.bsky.social @vuamsterdam.bsky.social @ms-laserlab.bsky.social Thanks @pccp.rsc.org ! Happy to have my number 100 here - Not just an author, also editorial board chair 😊 so slightly biased 💁🏼‍♀️

This paper is not only collaborative internationally, between UNSW, VU and KIT, but also across Australia, including @pukalalab.bsky.social in Adelaide and @msidownunder.bsky.social at UoW Wollongong. Olivia @olivrusli.bsky.social really made the most of Aussie borders reopening to get her data!!!

Read the 100th publication of PCCP Editorial Board Chair Anouk Rijs! 💯 #chemsky #compchemsky The “Rijs/Rijs” paper is a collaboration between @anoukrijs.bsky.social and Nicole Rijs @njrijs.bsky.social (no relation) and PhD student Olivia Rusli @olivrusli.bsky.social 🔗 doi.org/10.1039/D4CP...

Just accepted in PCCP, check out this Open Access paper on the reaction of sulfenic acids with OH and HO2 Radicals in different environments #chemsky #compchemsky doi.org/10.1039/D4CP...

Pleased to report that our recent work on radical-mediated adsorption at a hydrogenated silicon surface has been selected by @pccp.rsc.org for their "Hot Articles" collection! #ChemSky #CompChemSky

In this combined experimental & theoretical study, sinapic diacid was identified as a well performing light-to-heat agent, with potential for converting solar energy into heat delivered to plants 🌱🌤 #chemsky Read the full open access paper below! 🔓

Check out this open access study in PCCP investigating important questions about iron diimines using mass spec, tandem mass spec and ion-mobility spectrometry, aided by DFT and MD calculations 🔓 #chemsky #compchemsky

There's still time to join us in Edinburgh for the Advanced imaging techniques in biomineralisation research Faraday Discussion! #FD_BIOMIN #Chemsky 🚨 Early bird registration: 2 April 2025 (today!) 🚨 Registration: 23 April 2025 📅 14 -16 May 2025 More info ➡ www.rsc.org/events/detai... @rsc.org

😀Proud to serve as Guest Editor (@rsc.org, @crystengcomm.rsc.org @pccp.rsc.org @newjchem.rsc.org ) for the Special Issue celebrating the 70th birthday of Prof. Giuseppe Resnati. For more details and submission information, visit: 🔗 www.rsc.org/journals-boo...

Dr. Erin R. Johnson's group research paper " the role of the metal in metal/MoS2 and metal/Ca2N/MoS2 interfaces" was featured on the cover of Physical Chemistry Chemical Physics: pubs.rsc.org/en/content/a...

Read this Open Access paper in PCCP, offering a flexible, efficient tool for exploring the magnetic properties in complex molecules #chemsky #compchemsky 🔗 doi.org/10.1039/D4CP...

Out now in PCCP, this paper is part of our SAMPL Challenges themed collection! #chemsky