Atoms and bonds – Page 20
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ResearchMagnetic shielding maps reveal molecules’ aromaticity
Computational method is intuitive way to visualise Clar’s rule in polycyclic aromatic hydrocarbons
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ResearchTriple mechanochemistry mechanism might be a first for organic chemistry
Discovery of how molecular tuning influences mechanism could be used in self-healing polymers or in plastics that break down upon mechanical activation
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ResearchNMR findings suggest solution to enhanced diffusion dispute
Energy release rate may solve the puzzle of why the phenomenon is seen in some systems but not others
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ResearchMolecular ferroelectric is one cool crystal
Scientists find powerful new type of electrocaloric material
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ResearchRubidium atoms’ tunnelling time measured with quantum stopwatch
Ultracold atom’s time inside forbidden barrier determined, but experiment might not resolve the controversy surrounding tunnelling time
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ResearchAI reactivity predictor considers both molecular and electronic properties
Machine-learning model tested on electrochemical systems
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ResearchComplex molecule diffraction can start to Bragg
Diffraction with a drug and a dye takes interferometry with large molecules to the next level
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ResearchBond symmetry gauge for three-centre four-electron bonds
Numerical index correlates symmetry to ionic size and electron affinity of central cation
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ResearchMacrocycles slide freely across carbon nanotubes
Simulations suggest macrocycles show superlubricity at room temperature
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ResearchComputational study supports theory that water has a second critical point
Liquid-liquid phase transition at deeply supercooled conditions could explain water’s distinctive behavior
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Research‘Nanolympiadane’ created from supramolecular building blocks
A self-assembly approach has enabled the synthesis of large interlocked rings including a structure that resembles the Olympic logo
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ResearchAlgorithm predicts mortality of Covid-19 patients from blood biomarkers
Artificial intelligence tool to help doctors prioritise treatment
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ResearchMechanism maps predict chemoselectivity of NHC-catalysed transformations
Product forecasts from energy barrier calculations will help guide organocatalytic reactions
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ResearchYour new labmate does 700 reactions in eight days – and it’s a robot
Robotic chemist optimises water-splitting photocatalyst by working continuously for eight days even in complete darkness
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ResearchExcited state potential energy curves reignite diatomic carbon’s bond order conundrum
Molecular orbital theory-based approach backs quadruple bond
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ResearchNew bond discovered among spodium elements zinc, cadmium and mercury
Group 12 joins the σ-hole interaction family with spodium bonds
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ResearchMechanical force used to trigger isomerisation in 3D molecule
An atomically sharp scanning tunnelling microscope tip has been used to control the isomerisation of a butterfly-shaped compound
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ResearchUnnatural reaction benefits from computational tool that teaches an old enzyme new tricks
Method could generate artificial enzymes that are more suitable for directed evolution
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ResearchUltrasound makes nano-waves, generating ‘green’ radicals
Chemical engineers use high-frequency soundwaves to dissociate water without catalysts or electrolytes
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ResearchAlgorithm devises synthetic contingency plans for Covid-19 drug
Retrosynthesis software tool can identify multiple synthetic routes that use inexpensive and diverse starting materials while avoiding patented methods