Physical chemistry
The latest chemistry news and research on physical chemistry, including quantum and theoretical, bonding, computational and surfaces and interfaces, from the Royal Society of Chemistry's magazine, Chemistry World
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WebinarOne goal, three industries: retrosynthesis for pharma, agrochemicals and flavours & fragrances
Join us on 15 September as we explore the latest in AI-powered retrosynthetic software, evaluating its performance across three different industries
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ResearchRelativity rewrites the textbook take on triple bonds, experiments on carbon–bismuth ion prove
Results show how bonding in heavy elements mixes up molecular orbitals
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ResearchGold hydrogen bonds found to be as strong as other similar textbook interactions
C–H···Au bonds in gold acetonitrile complexes are comparable to conventional hydrogen bonds formed by O–H and N–H groups
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ResearchOne-electron bonds may be more common than chemists thought
Researchers identify one-electron behaviour in systems traditionally described as covalent, ionic and dative bonding
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NewsProtein wrappers designed by AI solve membrane proteins’ solubility problem
Protein sheaths encapsulate membrane proteins while preserving their structure and function making them easier to study
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OpinionRewriting the textbooks – authors tell us how they do it
Peter Atkins, Catherine Housecroft and Jonathan Clayden guide us through the changing world of textbooks
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OpinionPeter Atkins: ‘Rather than a single author book with an author’s voice, it’s becoming more of a committee construction’
The author of the venerable Physical Chemistry on how writing chemistry textbooks has changed over his career
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ResearchAI model fills in the gaps in crystal structures by placing missing hydrogen atoms
Model may help fix existing structures in the database or better simulate new materials
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FeatureAI agents accelerate catalyst discovery from simulation to scale-up
Artificial intelligence tools are transforming catalyst research, with new AI agents capable of completing in minutes what once took computational chemists days. Andy Extance explores how all scientists can benefit, from small groups to those at tech giants like Meta, Google and Nvidia
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ResearchCould AI research assistants speed up scientific discovery?
Google’s Co-Scientist and Futurehouse’s Robin can help scientists generate hypotheses, design experiments and analyse data
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PodcastQuantum computing & a mysterious microplastic contaminant
How close are we to using quantum computers in our own labs? Plus, an unexpected source of contamination affecting microplastics research results.
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ResearchStudy points to ammonia contamination in water microdroplets saga
Replication effort attributes mass spectrometry peaks to ammonium not hydroxyl species
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ResearchNew record set by quantum computing as it models its largest protein yet
Two IBM quantum processors working in concert with two supercomputers simulate a protein–ligand system with 12,000 atoms
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FeatureThe molecular mystery of how we smell
Despite being one of our key senses, the molecular mechanisms of smell remain poorly understood. Mason Wakley sniffs out the competing theories of what may be happening in our noses
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Research‘Human-in-the-loop’ approach could cut costs of robotic labs by 90%
Reducing costs may democratise field by making self-driving labs more accessible
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FeatureThe curious case of disappearing polymorphs
From crystallographers’ beards to billion-dollar lawsuits, the phenomenon of disappearing polymorphs has puzzled chemists for decades. Now researchers are finally unravelling the science behind why stable crystal forms suddenly vanish – and discovering how to bring them back
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PodcastTwo states of water & science sleuths
In this episode, we discuss the two-state model of water, how science sleuths are fighting disinformation, and hear the latest headlines.
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ResearchScientists claim to have found the two types of water that explain the liquid’s oddness
Discovery could shed new light on anomalies such as why water is densest at 4°C
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ResearchMachine learning cuts complexity of computational calculations in catalysis
Software simulates 370,000 steps in under 100 hours, potentially cutting demand for time on supercomputers by orders of magnitude