Physical chemistry – Page 19
-
ResearchMass spectrometry and augmented reality guide tumour removal in real time
Colour pixels help surgeons differentiate between cancerous and healthy tissue
-
ResearchHydrogen bond imparts more stability on transition state than expected
Study reveals importance of repulsive interactions
-
ArticleInnovating in complex environments
The benefits of digital tools and automation with no programming required
-
ResearchMagnetic shielding maps reveal molecules’ aromaticity
Computational method is intuitive way to visualise Clar’s rule in polycyclic aromatic hydrocarbons
-
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
-
NewsExplainer: What is quantum tunnelling?
Welcome to a weird world where reactions that ought to be impossible occur regularly
-
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
-
ResearchAI reactivity predictor considers both molecular and electronic properties
Machine-learning model tested on electrochemical systems
-
-
ResearchComplex molecule diffraction can start to Bragg
Diffraction with a drug and a dye takes interferometry with large molecules to the next level
-
ResearchMacrocycles slide freely across carbon nanotubes
Simulations suggest macrocycles show superlubricity at room temperature
-
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
-
ResearchAlgorithm predicts mortality of Covid-19 patients from blood biomarkers
Artificial intelligence tool to help doctors prioritise treatment
-
ResearchMechanism maps predict chemoselectivity of NHC-catalysed transformations
Product forecasts from energy barrier calculations will help guide organocatalytic reactions
-
RSCWelcoming a new era: A time for digital scientific discovery
Robots, artificial intelligence and machine learning are evolving chemistry practice. The Royal Society of Chemistry has a plan for harnessing our increasingly digitalised world
-
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
-
ResearchExcited state potential energy curves reignite diatomic carbon’s bond order conundrum
Molecular orbital theory-based approach backs quadruple bond
-
OpinionCan computational chemistry benefit from blockchain?
It could be a new paradigm in safeguarding science, but it might just tie our hands
-
NewsChemistry’s reproducibility crisis that you’ve probably never heard of
Legacy issues are posing important questions for scientific software developers
-
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