Physical chemistry – Page 7
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ResearchUnprecedented simultaneous quantum tunnelling reaction discovered
Isomers of the same molecule undergo different tunnelling rearrangement at the same time – a process that ‘is completely breaking the classic transition state rules’
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ResearchQuantum chemical analysis uncovers previously overlooked contributor to carbocation stability trend
Introducing substituents destabilises the parent substrates
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ResearchGigantic database of building blocks will help artificial intelligence uncover new organocatalysts
Publicly available dataset containing thousands of structures could help chemists develop data-driven reaction optimisation methods for organic synthesis
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ResearchAI beats human experts when it comes to peptide design
Algorithm throws up some counter-intuitive structures in contest
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OpinionQuantum computing has its limits
Error-prone qubits mean quantum systems do not yet surpass classical methods
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NewsExplainer: why are curly arrows used in organic chemistry?
How organic chemists became arrow pushers and what quantum chemists have to say about this
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ResearchControversy surrounds corrected chemical structures
Researchers used machine learning-powered NMR prediction to correct improbable structures – but some of their revisions have been challenged
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ResearchAI discovers the best general conditions yet for cross couplings, doubling yields
Algorithm works with robotic experimenter on tricky Suzuki–Miyaura reactions
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ResearchMachine learning navigates vast materials space to discover new high-performance alloys
Neural net suggested unusual element combination to create better Invar alloys
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ResearchAmide library created at speed with machine learning and stopped-flow chemistry
Approach used 90% less starting material than continuous flow equivalent
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NewsQuantum technology pioneers win physics Nobel
Alain Aspect, John Clauser and Anton Zeilinger are honoured for establishing quantum information science
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NewsAI picks out fake science
Textual analysis tool flags manuscripts that may have come from paper mills
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ResearchBenzene’s bond lengths corrected
Sophisticated spectroscopic method shows that previously reported values were out by several milliangstroms
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ResearchSurface reactions can be controlled by bulk stoichiometry
Computational models demonstrate how the elastic properties of a solid can influence surface chemistry
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ResearchUntangling the spin-favouritism of chiral molecules
Theory shows why DNA can be picky over electron spin
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ArticleA paradigm shift in the development of environmentally sustainable consumer packaged goods
Simulation technologies can shortcut the design process for new materials
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ArticleDriving environmental sustainability across the polymer supply chain with a digital chemistry strategy
From synthesis to formulation, manufacturing, recycling and reprocessing, computational modelling supports every part of process
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ResearchSuperheavy element flerovium is likely to be a liquid at room temperature
Element 114 predicted to be a volatile semiconductor with a melting point around 10°C
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Research‘Periodic table’ of hydrocarbons maps ‘magic’ molecules with exceptional stability
Computational chemists calculate the stability of hydrocarbons and design a map with potential predictive power
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ResearchActive liquid climbs walls
A two-phase liquid containing molecular motors could create a new class of soft matter