Physical chemistry – Page 23
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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
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ResearchRetrosynthetic algorithm broadened to design similar, but different, molecules
Chematica can now design efficient syntheses for large compound libraries
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ResearchFirst ever synthesis of most double-bond-rich hydrocarbon
Tiny hydrocarbon with six double bonds has unrivalled ability to make complex ring systems though multiple Diels–Alder reactions
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ResearchStitched spectra distinguish over 240k elemental compositions in petroleum sample
Peak performance for mass spectrometry
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ResearchGravity-defying droplets race upside down on super slippery surface
Charged superamphiphobic surface propels water, blood and other liquids up vertical slopes and even upside down
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ResearchAre synthetic chemists out of a job as AI meets automation?
Platform can weigh up a synthetic route, plan it and then carry out it
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ResearchSuperheavy oganesson is a semiconductor
The heaviest element known continues to defy the rules of the periodic table
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ResearchAlgorithm increases certainty of stereochemical assignments in flexible molecules
Computational fitting procedure set to reinvigorate vibrational circular dichroism spectroscopy
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ResearchContinuous ethanol release at ice–solid interfaces keeps ice at bay for nearly two years
Interfacial ethanol layers from liquid-packed coatings maintain long-lasting and super-low ice adhesion at temperatures as low as -60°C
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ResearchUncertainty metric builds confidence in machine learned-chemistry
Calculation will help users recognise when they need to retrain a neural network