Physical chemistry – Page 18
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Research
Pressure used to define relationship between atomic radii and electronegativity
Analysis of electronic state transitions uncovers long-sought connection between key chemical concepts
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Webinar
Physics-based computational modeling applied to the design and optimisation of biologics
Explore how FEP technology (including FEP+) can be applied in protein engineering work
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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
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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Webinar
Gaining an edge through smarter experimentation
Learn how to double your R&D capacity and get more products to market in less time – and at a lower cost
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Research
Half the world’s supply of element 99 used to reveal its chemical secrets
Scientists explore einsteinium’s unusual chemistry using less than 200 nanograms of the precious and highly radioactive material
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Business
Patent applications listing AI as an inventor run into legal problems
Artificial intelligence is increasingly being used to find new chemical compounds and repurpose drugs, but should laws be updated to protect the intellectual property of such discoveries?
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Webinar
High-throughput reaction screening for accelerated materials research
Learn how structure-property relationships can be used to re-design reactions or catalysts to achieve a desired activity
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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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Research
Electric fields flick the quantum-tunnelling switch in cold reactions
Reaction kinetics affected by direction of external electric field under cryogenic conditions
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Webinar
Good practices in data analytics
Join us to learn how the University of Limerick develops skills and knowledge of data analytics via their Pharmaceutical Manufacturing Technology Centre (PMTC)
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Opinion
When does a hydrogen bond become a covalent bond?
Ultrafast infrared spectroscopy probes the character of the short, strong bonds in HF2–
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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
How tunnelling titanium turns a perfect crystal into a bad heat conductor
Quantum tunnelling is key to solving the mystery of why some defect-free crystals have such low thermal conductivities
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Webinar
Faster drug discovery and optimisation with physics-based computational methods
Learn how physics-based computational methods, such as Free Energy Pertubation (FEP) calculations, can speed up the drug discovery and lead optimisation
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Research
Intricate supramolecular rosette demonstrates power of cooperative interactions
Rosette assembles inside porphyrin nanoring when all components are present
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Opinion
Behind the screens of AlphaFold
Predicting protein structure doesn’t necessarily say much about function
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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