Physical chemistry – Page 12
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ResearchFirst inspection of σ-hole reveals its peculiar shape
Atomic force microscopy snaps first experimental images of halogen bond’s charge distribution
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ResearchElectrostatic origins of specific ion effects revealed
Ion–solvent Coulomb interactions explain ordering of Hofmeister series, new study claims
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ResearchQuantum double-slit experiment done with molecules for the first time
Researchers prepare ‘new type of matter’ to conduct classic wave–particle duality experiment
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ResearchMinority Report-esque AI predicts new designer drugs before they’re made
Machine learning program accurately predicts structure of unknown psychoactive substances from mass spectra alone
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ResearchTextbook electronegativity model fails when it comes to carbon–halogen bond strengths
Computational analysis finds that it’s size, not electronegativity differences, determining bond strength within periodic table groups
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WebinarEfficient modelling of polymers for industrial applications using molecular dynamics
Learn how simulations can elevate polymer modelling and enhance your workflow
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ResearchDouble aromaticity puts a hex on gallium
Planar hexacoordinate cluster isn’t stable when other group 13 elements replace gallium
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ResearchModel performs reality check on adsorbents for carbon capture
Tool could save researchers time by assessing new materials from a variety of angles
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ResearchAre organic chemists discovering fewer reactions than they were decades ago?
Analysis of millions of transformations reveals reliance on popular methods – and the rise of complex reactions
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OpinionWeininger’s Smiles
The man whose code – and attitude to life – brought much happiness to chemists
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ResearchFlawless quasicrystals may be possible to synthesise simply
Cutting misalignment should allow perfect structures to form
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ResearchClippanes join rotaxanes and catenanes in mechanically interlocked molecule family
Keck-clip molecules consist of two entangled gold–carbene metallotweezers
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ResearchMeltable MOF glass made with ionic liquid
New family of glassy porous materials can be melted and moulded into any shape
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ResearchMaterials swap cuts cost of green hydrogen device
Coating allows titanium electrolyser components to be replaced with stainless steel
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BusinessPredicting and preventing production losses with AI
Seebo’s machine learning technology helps chemical manufacturers get deep insight into their processes
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ResearchUranium’s strong covalent bond breaks periodic table predictions
Actinide’s unusual covalency could explain its ability to fix nitrogen
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ResearchFirst snapshots of ionised water’s fleeting radical–cation pair
Ultrafast electron diffraction spots hydroxyl–hydronium complex before it separates a hundred quadrillionth of a second later
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WebinarOptimising protein stability using new computational design approaches for biologics
Learn how to use modern computational methods to optimise your approach to protein stability
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ResearchFirst vortex beam made entirely of atoms
Twisting atoms’ quantum mechanical wave function into a helix could reveal insights into atom–matter interactions
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WebinarSublime precursors: how modelling organometallics at surfaces drives innovation in materials processing
Explore atomic-scale simulation workflows – and learn about key precursor properties and the thermodynamics of adsorption