Physical chemistry – Page 29
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ResearchValence bond theory probes fundamental nature of hydrogen bonding
New insight reignites covalent versus electrostatics debate
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ResearchMachine learning makes light work of hard materials
Algorithm successfully identifies superhard compounds, eliminating the need for lengthy trial and error
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ResearchProbability count reveals single atoms under electron microscope
Statistical model removes human bias in finding individual atoms in fuzzy images
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ResearchArtificial intelligence seeks out new anticancer drugs
A combination of machine learning methods yields promising results for drug discovery
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ResearchPuzzle of why very similar sugars can taste much sweeter than others solved
The sweetest saccharides form the strongest and shortest hydrogen bonds
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ResearchTrapped-ion quantum computer does chemistry calculations for the first time
For an accurate quantum simulation, all you need is a few atoms
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ResearchAI tool could save on animal tests
Algorithm could also help unravel poisoning or environmental contamination cases
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ResearchNanotube locked inside a porphyrin
Rotaxane-like assembly formed from mechanically interlocked carbon nanotubes and macrocylic porphyrin rings
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ResearchAI robot tests, predicts and even discovers reactions that are new to chemistry
Robotic chemist finds four unknown reactions and could speed up the discovery of new chemistry
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ResearchDynamic surfaces can be switched by magnetic fields
Ferrofluid-based surfaces show multiple tuneable properties
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FeatureThe nanocoatings holding back corrosion
Corrosion is an age-old problem, but some of the latest solutions are distinctly 21st century. Rachel Brazil reports
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ReviewBeyond weird: why everything you thought you knew about quantum physics is different
Philip Ball sets himself the task of explaining quantum mechanics
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ResearchAI teaches itself to identify materials – and predict new ones too
Neural network trained up on 50,000 crystal structures shows promise rapidly navigating chemical element combinations
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ResearchLaser spectroscopy offers first glimpse at nobelium nuclei
Adapted technique offers experimental insights to theorists studying superheavy elements
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NewsChemists criticise mooted shutdown of 3D visualisation tools
End of support for Apple’s OpenGL programming interface could pull the plug on molecular modelling software
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ResearchErrors in continuum solvent models unravelled at last
Study reveals when, and how, continuum solvent methods fail in computational studies of solvent-phase reaction mechanisms and provide an alternative solvent modelling strategy
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ResearchDelocalisation pins down meaning of bond order
Reliable bond order definition provides new insights into covalency
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ResearchTool to navigate chemical space aims to be ‘Google Maps of drugs’
Software allows links between 8000 drugs and 47,000 compounds of environmental concern to be explored in 3D
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NewsNoble gas’s days of fixed atomic weight argon
Chemistry’s standardisation body introduces atomic weight interval for argon and updates weights of another 13 elements