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Research
Watching solvent molecules move in real time
X-ray techniques and molecular dynamics simulations were combined to obtain a molecular movie of a light-driven charge-transfer process
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Research
Molecular simulations show how plant-based materials capture water pollutants
Ion adsorption mechanism revealed by using simulations at the molecular level for the first time in this field
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Research
Linking chemistry with surgery to detect cancerous cells in situ
Livia Schiavinato Eberlin explains how her team has developed a hand-held device for surgeons that analyses tissue samples on a mass spectrometer mid-operation
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Research
Molecular firing range allows surprisingly specific bond breaking
At energies equivalent to temperatures of several thousand Kelvin fragmentation is unexpectedly precise
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Sponsored
Pittcon 2021: connections that matter
After 71 years as a physical event, Pittcon 2021 goes virtual on its 72nd birthday
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Research
How many water molecules make a droplet?
Water molecules behave like bulk water when surrounded by a sea of 20 others
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Webinar
Smarter experimentation for scientists and engineers
An innovative online training programme in design of experiments
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Research
New web apps help standardise how chemists assign colours to MOFs
Survey highlighting the subjective nature of colour prompts scientists to create new tools to improve chemical records
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Research
DFT boosts machine-learning models of nucleophilic aromatic substitution reactions
Best of both worlds for computational organic chemistry predictions
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Research
Fluorescent molecule breaks size record for green-emitting dyes
Study identifies 14-atom fluorophore with range of potential biological applications
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Research
Mission accomplished for scientist who set out to bring astrobiology to Portugal
Zita Martins discusses her work searching for molecules related to the origin of life
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Research
Randomness model used to simulate crystal growth
Tool can replicate and predict experimental results for crystal morphology and surface topology for several types of material
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Research
Refinement method uses quantum calculations to detail intricacies in crystal structures
Technique tackles disordered structures and compounds containing heavy elements
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Research
NMR monitors MOF assembly process
Technique adapted to interrogate nucleation and growth mechanism
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Research
Experimental proof of liquid–liquid transition in supercooled water
Diffraction measurements taken whilst laser heating pressurised water from an exotic frozen state
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Research
New titration reagent helps identify the best amylase for the job
Fluorogenic compound plugs gap in industrial enzyme screening toolbox
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Research
New ordering of elements could help find materials with promising properties
Universal sequence of elements index uses atomic radii and electronegativity to make predictions about simple compounds
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Research
Big data behind cheat sheets for optimising Buchwald–Hartwig cross-couplings
Interactive tools based on data from 62,000 reactions could help chemists eliminate human biases when selecting reaction conditions
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Research
Lessons from an unlikely cadmium carbonyl compound
Complete structural reassignment sees cadmium, carbon and chlorine replaced with rhenium, nitrogen and sulfur
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Research
Pompeii’s paintings imperilled by precipitates
Volcanic ash protected the city’s frescos for centuries, now it might hasten their decline