Physical chemistry – Page 24
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ResearchPositron dihalides join exotic group of molecules that combine matter and antimatter
Theoretical evidence that positronic covalent bonds between halide anions would be energetically stable
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ArticlePharma and healthcare meets data and digitalisation
UK-based company Life Science Integrates exists to facilitate collaboration between digital, pharma and life sciences industries – helping form partnerships that revolutionise healthcare
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ArticleArtificial intelligence: on the cusp of a digital revolution
AI is transforming the pharma industry and its drug discovery pipeline
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ResearchSimulated chiral light identifies and controls mirror-image molecules
Theoretical ‘photonic reagent’ could highlight enantiomers for simple separation
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OpinionWill computers ever discover drugs from scratch?
With enough understanding and computing power, it should be possible, but will it happen?
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WebinarAdvantages of characterising pharmaceuticals using DSC and TGA
Learn how APIs, excipients and formulations can be investigated by differential scanning calorimetry and thermogravimetric analysis
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ResearchCopernicium behaves like a volatile noble liquid, simulations suggest
Relativity plays a part in making element 112 very different to its counterparts in group 12
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NewsStructures in more than 150 papers may be wrong thanks to NMR coding glitch
Chemical shift-calculating bug casts doubt on studies ranging from natural product discovery to biosynthesis
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ResearchThree centres, two electrons, but how many bonds?
Tweaking Lewis structures allows for a simplified and clearer representation of electron-deficient molecules
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ResearchSecret of super-tough scales of giant Amazonian fish uncovered
Spiral-staircase structure prevents the scales being penetrated by piranhas
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ResearchCarbynes expand the possibilities of carbon–carbon double bonds
Chemists use novel monovalent carbon species to insert functionalities in the middle of double bonds
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ResearchMachine learning predicts electron densities with DFT accuracy
Non-covalent interactions and electron densities can be explored quickly without the need for expensive and time-consuming quantum chemical calculations
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ResearchLanguage-based software’s accurate predictions translate to benefits for chemists
State-of-the-art design for computer language processing results in improved models for predicting chemistry
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FeatureAtom-by-atom experiments at the edge of the periodic table
Only a few atoms of oganesson have ever been made – and they all vanished in less time than it took you to read this
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ResearchBronze age tin from Israeli shipwrecks was mined in Britain
Isotope analysis matches metal to mines in Devon and Cornwall suggesting ancient trade route existed
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ResearchAnother 43 new kinds of carbon could still be out there to find
Predictions could lead to forms of carbon that are even harder than diamond
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ResearchHuman biases cause problems for machines trying to learn chemistry
Including ‘unpopular’ reagents and reaction conditions into datasets could lead to better machine-learning models
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ResearchWater surprise: microdroplets have potential to produce H2O2
US researchers discover that microscopic droplets of water spontaneously generate hydrogen peroxide
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ResearchGiant tree molecule made out of 45 rotaxanes switches size on demand
Mechanically interlocked molecules give dendrimer the ability to expand and contract