Physical chemistry – Page 17
-
ResearchSwimming molecules come under intense scrutiny
Discoverers of enhanced diffusion in click cycloaddition reactions stand firm after other groups say they can’t reproduce the findings
-
ResearchStudy casts doubt on water microdroplets’ ability to spontaneously produce hydrogen peroxide
Atmospheric ozone appears to be hidden culprit behind scientific puzzle
-
ResearchNew phenomenon ‘quantum friction’ explains water’s bizarre properties
Theory offers explanation why water behaves oddly when flowing through nanoscale carbon-based channels
-
ResearchReal space alternative for magnetic spin-coupling models
Model for magnetic coupling moves past the orbital picture and overcomes its limitations
-
ResearchDirect evidence emerges for the existence of two forms of liquid water
Low temperature experiments with sugary solution reveal transition from low- to high-density states at pressure
-
ResearchComputational study predicts new high-pressure polymorph of Roy
Conformational energy-corrected DFT combined with crystal structure prediction leads to first crystal energy landscape for Roy that agrees with experimental evidence
-
OpinionThe chemist’s gambit
If artificial intelligence can revolutionise chess, what might it do to chemistry?
-
ResearchListening to quantum beats could reveal rhythm of birds’ migratory compass
Laser technique to read out oscillating spin states could help uncover how animals’ magnetic sense works
-
OpinionThe law of conservation of data
AI and machine learning are useful and powerful, but they need high quality data inputs that aren’t available yet for drug discovery
-
ResearchCase closed on how surfactant micelles create mesopores within zeolites
Raman spectroscopy unveils key step in the formation of heterogeneous catalysts
-
ResearchBerkelium complex opens door for future nuclear recycling
Complex is only the sixth ever created
-
ResearchAlgorithm out of Google’s DeepMind finesses DFT calculations
Machine learning creates algorithm that avoids large errors in solutions to certain problems
-
ResearchUnsupervised machine-learning tool could accelerate catalyst discovery
The approach was able to identify phosphine ligands that may form dinuclear palladium(I) complexes using only five experimental data points
-
ResearchFirst inspection of σ-hole reveals its peculiar shape
Atomic force microscopy snaps first experimental images of halogen bond’s charge distribution
-
ResearchElectrostatic origins of specific ion effects revealed
Ion–solvent Coulomb interactions explain ordering of Hofmeister series, new study claims
-
ResearchQuantum double-slit experiment done with molecules for the first time
Researchers prepare ‘new type of matter’ to conduct classic wave–particle duality experiment
-
ResearchMinority Report-esque AI predicts new designer drugs before they’re made
Machine learning program accurately predicts structure of unknown psychoactive substances from mass spectra alone
-
ResearchTextbook electronegativity model fails when it comes to carbon–halogen bond strengths
Computational analysis finds that it’s size, not electronegativity differences, determining bond strength within periodic table groups
-
WebinarEfficient modelling of polymers for industrial applications using molecular dynamics
Learn how simulations can elevate polymer modelling and enhance your workflow
-
ResearchDouble aromaticity puts a hex on gallium
Planar hexacoordinate cluster isn’t stable when other group 13 elements replace gallium