Physical chemistry – Page 23
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ResearchStructure-based AI tool can predict wide range of very different reactions
Molecular properties, enantioselectivities, yields and relative conversion can all be modelled by the same program
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ResearchAutomatic conformer investigator takes tedium out of exploring low-energy chemical space
Quantum chemical calculations drive program that quickly and easily builds up plausible ensembles of molecular conformers
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ResearchTextbook structure rules formulated by Linus Pauling 90 years ago prove unreliable
Just 13% of 5000 oxides found to fulfil all five coordination geometry predictions
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ResearchAI tool screens 107 million molecules, discovers potent new antibiotics
Deep learning approach could help in fight against drug-resistant bacteria
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ResearchExcess electrons can degrade polluting fluorinated compounds, simulations find
Strong carbon–fluorine bond dissociates on ultrafast timescale
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![An image showing the bonding pattern of [2]catenane](https://d2cbg94ubxgsnp.cloudfront.net/Pictures/100x67/2/8/7/503287_c9cc09483kf2_286914.png)
ResearchAromaticity lends stability to carbon-only catenanes
Catenanes of newly discovered C18 rings are theoretically possible thanks to the kinetic quirks of aromaticity
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BusinessEliminating sticky situations with Adaptive Surface Technologies
The company’s multi-purpose coating concept can increase the fuel efficiency of ships and reduce the risk of infection in hospitals
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PodcastYou Look Like a Thing and I Love You by Janelle Shane – Book club
We talk about Janelle Shane’s dive into the depths of AI weirdness
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ReviewYou Look Like a Thing and I Love You: How Artificial Intelligence Works and Why It’s Making the World a Weirder Place
From giraffes to strange pickup lines, this delightful and often laugh-out-loud book will help anyone understand AI better
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ResearchAircraft wings could be assembled cheaply and easily using nanotubes
Technique would eliminate the need for pressure vessels the size of a building
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ResearchComputer says no to membrane-bound life on Titan
Scientists quash inside–out cell membrane theory but don’t completely rule out possibility of life on cryogenic liquid hydrocarbon worlds
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ResearchRhenium plays starring role in bond movie
Controllable energy input from transmission electron microscope captures atoms dissociating and recombining
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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