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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OpinionNora de Leeuw: ‘Some of my best PhD students weren’t that great at passing exams’
The computational chemist on perspectives from outside academia and the importance of inquisitiveness
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Research‘CrystalGPT’ set to enhance how chemists design crystals in silico
Model for predicting molecular crystal properties is readily adaptable to specific tasks, even with limited data
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OpinionPonnadurai Ramasami: ‘You will learn more by going the more difficult way’
The trailblazing computational chemist on the joys of teaching, inaugurating a virtual conference, and the importance of doing things the hard way
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ResearchLanthanide–carbon triple bond synthesised and characterised
Cluster stabilised within a C80 fullerene cage
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ResearchCentrosymmetric crystal displays chiral optical responses previously believed to be impossible
Crystal with perfect symmetry around its centre surprises scientists with its asymmetric response to light
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ResearchUnprecedented pentacoordinate oxygen cluster isn’t so new after all
Scientists design a star-shaped dianion only to discover it had probably been synthesised nearly two decades ago
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ResearchAn overlooked bonding motif appears in many more proteins than was previously realised
Covalent nitrogen–oxygen–sulfur linkages could be a new target for potential drugs
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ResearchFluorine surprises by becoming heaviest atom ever to quantum tunnel
First experimental evidence of tunnelling in fluorine pushes the boundary of our understanding of chemical bonding
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ResearchStrain can unlock electron-donating orbital in tetravalent carbon atoms
Computational study shows how apical carbons in propellanes and pyramidanes can form hydrogen, halogen, chalcogen, pnictogen and tetrel bonds
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WebinarModelling amorphous solid dispersion (ASD) release mechanisms
Learn how thermodynamic modelling and molecular simulation can help our understanding of amorphous solid dispersion
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ResearchBridging the gap between Hammett parameters and the electronic structure of aromatic systems
Occupation of effective atomic orbitals used to quantify and predict Hammett parameters
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ResearchAI predicts transition states with exceptional precision
Model can complete tasks in under a second that take conventional methods hours
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ResearchCharged droplets don’t splash when they hit a solid surface
Finding could have applications in printing and surface coatings
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ResearchActinide bonding could be tweaked by adjusting oxidation states
Modelling reveals that control of mysterious phi bonds could change behaviour of f-block elements
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OpinionWe need to build the data that chemistry deserves - here’s how we can do it
Creating a purpose-built repository of standardised reaction data is a tall order, but the reward would be huge
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ResearchGraphene-enhanced supramolecular gels direct how drug molecules crystallise
System could be useful in preformulation stage of drug development
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ResearchMicrowaves’ non-thermal effects on a chemical reaction demonstrated for first time
Molecular beam experiments shift reaction rate by manipulating reactant’s quantum state
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FeatureCrystal clear structure prediction
As the clouds clear on computational crystal structure prediction, is the technique ready to empower mainstream materials research? James Mitchell Crow reports
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NewsChatbot developers hope to make computational chemistry more accessible
AutoSolvateWeb could help undergraduates upwards simulate solvation
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ResearchCollective coupling strength must be larger than previously thought to guarantee delocalised polaritons
Findings challenge previously accepted criteria for robust delocalisation within the strong coupling regime