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pccp.rsc.org
Physical Chemistry Chemical Physics
@pccp.rsc.org
730 followers 1.1K following 39 posts
An international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry.

🌐 Website rsc.li/PCCP
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pccp.rsc.org
Physical Chemistry Chemical Physics @pccp.rsc.org · Feb 28
Good morning #chemsky – you can now find us @pccp.rsc.org 🎉

Follow us for updates on cutting-edge research in physical chemistry, chemical physics and biophysical chemistry, and watch our testimonial video on what makes PCCP exceptional below! ⚛ @rsc.org

youtu.be/iLJziY5bzxI
What Makes PCCP Exceptional?
YouTube video by Royal Society Of Chemistry
youtu.be
Reposted by Physical Chemistry Chemical Physics
pimtv.bsky.social
Our theoretical and experimental XAS study of neptunium in different oxidation states has been published in Physical Chemistry Chemical Physics.
@pccp.rsc.org
#actinides #XAS
pubs.rsc.org/en/content/a...
The role of neptunium oxidation states and coordination in shaping XANES spectra at the Np L3 absorption edge
This paper presents the results of a comprehensive study of neptunium oxides in oxidation states +4 to +7 using X-ray absorption near-edge spectroscopy (XANES) and theoretical modeling. Based on labor...
pubs.rsc.org
January 13, 2026 at 8:47 AM
Reposted by Physical Chemistry Chemical Physics
accosycost.bsky.social
Happy to share that we are organizing FOURTHCOSY, the Fourth General Meeting of the COST Action CA21101 "COSY"
fourth-general-meeting.cost-cosy.eu
Sponsored by @pccp.rsc.org
Funded by @costprogramme.bsky.social
COSY Cost action
Overview Fourth General Meeting of the COST Action CA21101 - COSY: Confined Molecular Systems: From a New Generation of Materials to the Stars. COST (European Cooperation in Science and Technology) is a funding organisation for research and innovation networks. Our Actions help connect research initiatives across Europe and beyond
fourth-general-meeting.cost-cosy.eu
January 14, 2026 at 10:45 AM
Reposted by Physical Chemistry Chemical Physics
faradaydiscussions.rsc.org
Join us in Manchester in April 2026 for the 𝐌𝐨𝐥𝐞𝐜𝐮𝐥𝐚𝐫 𝐚𝐧𝐝 𝐢𝐨𝐧 𝐟𝐥𝐨𝐰𝐬 𝐭𝐡𝐫𝐨𝐮𝐠𝐡 𝐚𝐧𝐠𝐬𝐭𝐫𝐨𝐦-𝐬𝐜𝐚𝐥𝐞 𝐜𝐡𝐚𝐧𝐧𝐞𝐥𝐬 𝐅𝐚𝐫𝐚𝐝𝐚𝐲 𝐃𝐢𝐬𝐜𝐮𝐬𝐬𝐢𝐨𝐧 📢

📅Submit your poster abstract by 𝟐 𝐅𝐞𝐛𝐫𝐮𝐚𝐫𝐲 𝟐𝟎𝟐𝟔

🔗More info and registration: rsc.li/channels-fd2026

#chemsky #FD_CHANNELS #nanofluidics @rsc.org
An R-S-C promotional graphic for the Faraday Discussion Molecular and ion flows through angstrom-scale channels, to be held 13-15 April 2026 in Manchester, UK.
January 12, 2026 at 12:08 PM
pccp.rsc.org
PCCP is delighted to announce that our latest themed collection ‘Bunsen-Tagung 2024: High-Resolution Structural Methods in Material and Life Sciences’ is now online and free to access until 30 April 2026. #chemsky

Read the full collection: pubs.rsc.org/en/journals/...
An R-S-C promotional graphic for the P-C-C-P Bunsen-Tagung 2024: High-Resolution Structural Methods in Material and Life Sciences themed collection. The graphic includes a list of the guest editors, Sarah Köster (Georg-August-University Göttingen), Melanie Schnell (Christian-Albrechts-Universität zu Kiel, Deutsches Elektronen-Synchrotron), Walter Richtering (RWTH Aachen University) and Dominik Wöll (RWTH Aachen University). The tagline reads “Free to access”.
January 7, 2026 at 12:19 PM
Reposted by Physical Chemistry Chemical Physics
digital-discovery.rsc.org
#DigitalDiscovery and @pccp.rsc.org are proud to be sponsoring prizes at 2026's Chemical Compound Space Conference held in Munich from March 10th to 13th. Don't miss your chance to participate. Registration closes on the 15th of January!

Find out more here: ccsc2026.github.io/
The logo for the conference linked in the post
December 18, 2025 at 10:47 AM
Reposted by Physical Chemistry Chemical Physics
quantumalicante.bsky.social
Our last (review) contribution (@pccp.rsc.org) is now online!

We tried to cover DFT from its inception to its latest (deep-learned) examples.

A collaboration between @ctm-itodys.bsky.social, @group-ctm.bsky.social, and the quantum chemistry group of the @ua.es👇🏼

pubs.rsc.org/en/content/a...
December 30, 2025 at 12:54 PM
Reposted by Physical Chemistry Chemical Physics
maddicoat.bsky.social
Here's a cool thing that needs a human to do: These two papers doi.org/10.1039/D5CP... and doi.org/10.1039/D5CP... were published at the end of last year in @pccp.rsc.org. They are the result of the assessment of my masters Comp Chem class.
Associative vs. dissociative binding of CO2 on M4 transition metal clusters
Density functional theory calculations were performed to determine reaction paths for the reaction of CO2 with M4 transition metal clusters (M = Nb, Mo, Ru, Rh, Pd, Ag, Pt). Geometries incorporating a...
doi.org
January 6, 2026 at 10:56 AM
pccp.rsc.org
PCCP is delighted to announce that our latest themed collection ‘Festschrift for Judith Herzfeld: spectroscopic and theoretical studies of biomolecules, aqueous solutions, and materials’ is now online & free to access until 30 March 2026.
#chemsky
Read the collection:
pubs.rsc.org/en/journals/...
An R-S-C promotional graphic for the P-C-C-P ‘Festschrift for Judith Herzfeld: spectroscopic and theoretical studies of biomolecules, aqueous solutions, and materials’. The graphic includes a list of the guest editors, Ana-Nicoleta Bondar (University of Bucharest & Forschungszentrum Jülich), Leonid S. Brown (University of Guelph), Hideki Kandori (Nagoya Institute of Technology), Vladimir Ladizhansky (University of Guelph). The tagline reads “Free to access”.
December 15, 2025 at 3:24 PM
Reposted by Physical Chemistry Chemical Physics
digital-discovery.rsc.org
Digital Discovery & @pccp.rsc.org are pleased to announce the poster prize winners from the Uncertainty Quantification in Atomistic Modelling meeting!

🏅 Petra Navarcikova (TU Delft) - Uncertainty-Aware Protein Folding: From Classical Force Fields to Machine Learning Interatomic Potentials
December 10, 2025 at 1:30 PM
Reposted by Physical Chemistry Chemical Physics
maciejspiegel.bsky.social
Our latest study in @pccp.rsc.org describes how metal–hemin complexes respond to light and whether they can reach the reactive states needed for antimicrobial photodynamic action. The results look encouraging.

doi.org/10.1039/D5CP...

#QuantumChemistry #Photochemistry #PDT #ComputationalChemistry
On the photophysical properties of Al-, Ga- and In-hemin complexes: a quantum chemical investigation
Photophysical properties of the recently synthesized Al(iii), Ga(iii) and In(iii)-hemin complexes have been studied, in particular, the most important properties relevant to their proposed use as new ...
doi.org
November 25, 2025 at 9:45 AM
Reposted by Physical Chemistry Chemical Physics
beehockin.bsky.social
Nothing can prepare you for the graphical abstract of the (brilliant) Editorial our Guest Editors wrote for this themed collection 😂

doi.org/10.1039/D5CP...
pccp.rsc.org Physical Chemistry Chemical Physics @pccp.rsc.org · Nov 20
Our latest themed collection ‘Festschrift for Christel Marian: The role of electron spin in molecular photochemical and photophysical processes: Theory and experiment’ is now online and free to access until 14th February 2026! 🧪 #chemsky

Read the collection: pubs.rsc.org/en/journals/...
An R-S-C promotional graphic for the P-C-C-P Festschrift for Christel Marian: The role of electron spin in molecular photochemical and photophysical processes themed collection. The graphic includes photos of the guest editors, Shirin Faraj, Andres Dreuw, Bernd Engels, Martin Kleinschmidt. The tagline reads “Free to access”.
November 20, 2025 at 5:17 PM
Reposted by Physical Chemistry Chemical Physics
cosy-action.bsky.social
🎉 COSY publication + back cover in @pccp.rsc.org !
Quantum dynamics of the temporary capture of light atoms by superfluid helium nanodroplets at very low collision energies 🔗 doi.org/10.1039/D5CP...
Congrats to Miguel González @unibarcelonathe.bsky.social & all Authors! 👏
@costprogramme.bsky.social
November 21, 2025 at 11:12 AM
pccp.rsc.org
Our latest themed collection ‘Festschrift for Christel Marian: The role of electron spin in molecular photochemical and photophysical processes: Theory and experiment’ is now online and free to access until 14th February 2026! 🧪 #chemsky

Read the collection: pubs.rsc.org/en/journals/...
An R-S-C promotional graphic for the P-C-C-P Festschrift for Christel Marian: The role of electron spin in molecular photochemical and photophysical processes themed collection. The graphic includes photos of the guest editors, Shirin Faraj, Andres Dreuw, Bernd Engels, Martin Kleinschmidt. The tagline reads “Free to access”.
November 20, 2025 at 5:12 PM
pccp.rsc.org
We are welcoming submissions to a themed collection celebrating our symposium Physics for Sustainability: Health, Energy, and Environment - SPHERE 🧪

🗓️ Submit your work by 30 March 2026

More information:🔗 www.rsc.org/publishing/j...

@rsc.org #chemsky
An R-S-C promotional graphic for the P-C-C-P themed collection "S-P-H-E-R-E symposium collection" with the subtitle "Physics for Sustainability: Health, Energy and Environment". The graphic shows the logos of the I-S-Sc Bangalore, the P-C-C-P Owner Societies, and the S-A-C-M, Society for Atomistic and Continuum Modelling. The bottom left text reads "Submit your research by 30th march 2026". The Guest Editors are shown along with their photos as follows: • Prof. Ananya Debnath, Indian Institute of Technology, Jodhpur • Prof. Himanshu Joshi, Indian Institute of Technology, Hyderabad • Prof. Hemant Kumar, Indian Institute of Technology, Bhubaneswar • Prof. Ananth Govind Rajan, Indian Institute of Science, Bangalore • Prof. Anand Srivastava, Indian Institute of Science, Bangalore
November 17, 2025 at 11:56 AM
Reposted by Physical Chemistry Chemical Physics
mertenlab.bsky.social
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
Vibrational circular dichroism of tartaric acid in water
Although tartaric acid (TA) and its esters have been among the first molecules to be characterized by means of VCD spectroscopy, the experimental spectra of TA recorded in water have not yet been repr...
doi.org
October 30, 2025 at 3:14 PM
pccp.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 🥳 #chemsky

Submit your work to PCCP or Nanoscale @nanoscale-journals.rsc.org before 30 April 2026! 📅

More info:🔗 www.rsc.org/publishing/j...
An R-S-C promotional graphic for the themed collection in P-C-C-P and Nanoscale "In honour of Prof. Amitava Patra's 60th birthday: Current advancements in photonic materials and spectroscopy". Guest edtied by Prof. Amitava Patra, Prof. Rodolphe Antoine, Dr Tapasi Sen, and Prof. Ayan Datta.
October 16, 2025 at 3:53 PM
Reposted by Physical Chemistry Chemical Physics
faradaydiscussions.rsc.org
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
An R-S-C promotional graphic for the Faraday Discussion "Emerging materials for optoelectronics applications", to be held from 1-3 July in Edinburgh, UK. The oral abstract deadline is 27 October 2025.
October 16, 2025 at 11:35 AM
Reposted by Physical Chemistry Chemical Physics
nanoscale-journals.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...
October 15, 2025 at 4:28 PM
pccp.rsc.org
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!
A photo of the P-C-C-P Editorial Board and colleagues from the R-S-C standing in front of a large statue and trees at I-I-Sc Bengaluru. From left to right: Lijina MP, Keith Gordon, Anouk Rijs, Michael Rowan, Maria Lucia Curri, Prabal Maiti, Spiridoula Matsika, Henry "Fritz" Schaefer, and Aparna Ganguly.
October 15, 2025 at 2:31 PM
Reposted by Physical Chemistry Chemical Physics
beehockin.bsky.social
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 25th anniversary collection
A collection of articles celebrating the 25th anniversary of PCCP.
pubs.rsc.org
October 10, 2025 at 9:18 AM
pccp.rsc.org
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/...
An R-S-C promotional graphic for the PCCP 25th Anniversary Issue themed collection. The graphic includes photos of the guest editors, Henry “Fritz” Schaefer (University of Georgia, PCCP Deputy Chair of the Editorial Board) and Julie MacPherson (university of Warwick, PCCP Ownership Board member). The tagline reads “Published and free to access”.
October 10, 2025 at 9:09 AM
Reposted by Physical Chemistry Chemical Physics
nfdi4chem.de
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
October 9, 2025 at 11:07 AM
Reposted by Physical Chemistry Chemical Physics
tschnappinger.bsky.social
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...
Simulation of time-resolved site-selective X-ray spectroscopy tracing nonadiabatic dynamics in meta-Methylbenzophenone
Benzophenone and its derivatives are important diaryl ketone building blocks that have applications ranging from UV blockers to organic optoelectronics. This class of substances exhibits efficient int...
doi.org
October 9, 2025 at 10:52 AM
Reposted by Physical Chemistry Chemical Physics
chemicalscience.rsc.org
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).
October 7, 2025 at 1:00 PM
pccp.rsc.org
📢 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
October 7, 2025 at 9:09 AM