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pccp.rsc.org
Physical Chemistry Chemical Physics
@pccp.rsc.org
740 followers 1.1K following 41 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
pccp.rsc.org
Happy Lunar New Year! We hope you have a wonderful beginning to the Year of the Horse 🐎
February 16, 2026 at 6:31 PM
pccp.rsc.org
Congratulations to the three winners of the CSJ PCCP Prize! #ChemicalSocietyOfJapan

🏆 Hiroki Uratani (Theoretical, Informatics and Computational Chemistry)

🏆 Kentaro Kadota (Complex and Organometallic Chemistry)

🏆 Keisuke Nakamura (Polymer Chemistry)

@univkyoto.bsky.social
rscjapan.bsky.social RSC Japan @rscjapan.bsky.social · 6d
【PCCP Prize】
今年のPCCP賞受賞者が発表されました。受賞された3名の皆様、おめでとうございます🎉👏 @pccp.rsc.org @univkyoto.bsky.social #日本化学会
www.chemistry.or.jp/activity/int...

＜理論・情報・計算化学分野＞
京都大学　浦谷 浩輝　氏

＜錯体・有機金属化学分野＞
京都大学　門田 健太郎　氏

＜高分子分野＞
京都大学　中村 圭佑　氏
公益社団法人日本化学会 | 活動 | 第20回 PCCP Prize受賞者が決定しました
www.chemistry.or.jp
February 13, 2026 at 3:58 PM
Reposted by Physical Chemistry Chemical Physics
rscjapan.bsky.social
【PCCP Prize】
今年のPCCP賞受賞者が発表されました。受賞された3名の皆様、おめでとうございます🎉👏 @pccp.rsc.org @univkyoto.bsky.social #日本化学会
www.chemistry.or.jp/activity/int...

＜理論・情報・計算化学分野＞
京都大学　浦谷 浩輝　氏

＜錯体・有機金属化学分野＞
京都大学　門田 健太郎　氏

＜高分子分野＞
京都大学　中村 圭佑　氏
公益社団法人日本化学会 | 活動 | 第20回 PCCP Prize受賞者が決定しました
www.chemistry.or.jp
February 13, 2026 at 6:41 AM
Reposted by Physical Chemistry Chemical Physics
alisonbain.bsky.social
Thinking about using AIOMFAC to determine the water activity of surfactant solutions? We show that AIOMFAC can make accurate predictions for solutions with surfactant, BUT the newly updated oxyethylene group should be used for molecules with a PEG-like tail. @pccp.rsc.org doi.org/10.1039/D5CP...
Impact of nonionic surfactants on the water activity of binary and ternary aqueous solutions
Atmospheric aerosol droplets have large surface-area-to-volume ratios, leading to bulk-to-surface partitioning. This partitioning affects both the surface tension and water activity of aerosol when st...
doi.org
February 12, 2026 at 3:12 PM
Reposted by Physical Chemistry Chemical Physics
beehockin.bsky.social
Delighted to announce that I'll be attending Bunsen-Tagung 2026 in Dresden from 30 March - 1 April, and I've teamed up with the Young Physical Chemists to present a Meet The Editor workshop on how to publish with impact!

More info: veranstaltungen.gdch.de/microsite/in...

#ChemSky #MeetTheEditor
An R-S-C promotional graphic for a P-C-C-P Meet the Editor session titled How to publish with impact. Monday 30 March 2026, 3.30PM CET, Bunsen-Tagung. Join Development Editor Bee Hockin (Royal Society of Chemistry, UK)
February 13, 2026 at 3:44 PM
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 📢

📅Early Bird registration closes: 2 March 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.
February 10, 2026 at 10:45 AM
Reposted by Physical Chemistry Chemical Physics
newjchem.rsc.org
🧪Now online: From fluorine chemistry to noncovalent interactions - a cross-journal collection in @pccp.rsc.org , @crystengcomm.rsc.org and NJC celebrating the 70th birthday of Prof. Giuseppe Resnati. doi.org/10.1039/D5CP...
From fluorine chemistry to noncovalent interactions: celebrating Prof. Giuseppe Resnati
Celebrating the remarkable mission of Professor Giuseppe Resnati in science.
doi.org
February 10, 2026 at 8:48 AM
Reposted by Physical Chemistry Chemical Physics
miquelsola.bsky.social
Happy to share our last @pccp.rsc.org publication entitled "Expanding aromaticity tests to include lowest-lying triplet excited states and charged and heterocyclic rings" by Maria Cabrero-Martí and myself. pubs.rsc.org/en/content/a...
Expanding aromaticity tests to include lowest-lying triplet excited states and charged and heterocyclic rings
Aromaticity is a pivotal concept in chemistry arising from electron delocalization in closed-loop systems that confers extra energetic stabilization. Its direct observation is not possible, making its...
pubs.rsc.org
January 27, 2026 at 12:16 PM
Reposted by Physical Chemistry Chemical Physics
clairecorkhill.bsky.social
🚨☢️New paper alert! ☢️🚨Great work from Dr Ritesh Mohun (now at @bangoruniversity.bsky.social) in our USA-UK collaboration with @pullman.wsu.edu on the effect of radiation damage on Y-doped CeO2 (as an analogue for REE-doped UO2). Read it here: @pccp.rsc.org pubs.rsc.org/en/content/a...
January 22, 2026 at 4:16 PM
Reposted by Physical Chemistry Chemical Physics
gkhmadsen.bsky.social
Alex combining symmetry, MLIPs and evolutionary searches to complete the rotational defects in MoS2 is out in @pccp.rsc.org. doi.org/10.1039/D5CP.... Funded by @fwf-at.bsky.social through TU-Dx and @taco-oxides.bsky.social
Completing the hierarchy of rotational defects in monolayer MoS2 through symmetry-aware evolutionary search
Monolayer molybdenum disulfide (MoS2) shows a plethora of defect configurations, which constitutes the basis for tailoring material properties through defect engineering. Detailed characterization of ...
doi.org
January 17, 2026 at 12:52 PM
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