Physical chemistry – Page 27
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ResearchElusive water ionisation intermediate found using ultrafast x-ray pulses
H2O+ cationic hole never directly observed before
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ResearchProgram finds 5 million synthetic routes to complex chemicals
Only around five hundred ‘tactical combinations’ for advanced organic synthesis existed – until Chematica was let loose on the problem
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![An image showing cyclo[18]carbon](https://d2cbg94ubxgsnp.cloudfront.net/Pictures/100x67/2/7/3/502273_indexuntitled1_212753.png)
ResearchRing of pure carbon takes on negative charge
Scientists use simulations to reveal the properties of the newest carbon allotrope
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Research‘Ideal’ water splitting catalysts actually exist, simulations find
New computational model could accelerate the discovery of cheaper and more efficient catalysts
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ResearchOdd 'entropic bonds' akin to chemical ones can form between nanoparticles
Simulations finds that ’bonding’ can occur in the absence of any electronic interaction
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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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ArticleArtificial intelligence: on the cusp of a digital revolution
AI is transforming the pharma industry and its drug discovery pipeline
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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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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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