Physical chemistry – Page 30
-
NewsChemists criticise mooted shutdown of 3D visualisation tools
End of support for Apple’s OpenGL programming interface could pull the plug on molecular modelling software
-
ResearchErrors in continuum solvent models unravelled at last
Study reveals when, and how, continuum solvent methods fail in computational studies of solvent-phase reaction mechanisms and provide an alternative solvent modelling strategy
-
ResearchDelocalisation pins down meaning of bond order
Reliable bond order definition provides new insights into covalency
-
ResearchTool to navigate chemical space aims to be ‘Google Maps of drugs’
Software allows links between 8000 drugs and 47,000 compounds of environmental concern to be explored in 3D
-
NewsNoble gas’s days of fixed atomic weight argon
Chemistry’s standardisation body introduces atomic weight interval for argon and updates weights of another 13 elements
-
OpinionMaking gender equality more than theoretical
How the French Network for Theoretical Chemistry is addressing gender imbalance at conferences
-
ResearchSpins doctor water’s reactivity
Ultracold experiments reveal water isomers have different reaction rates
-
ResearchCarbon bubble-wrap could be packed with interesting behaviour
Theoretical chemists devise nanoscale version of satisfyingly interactive packaging material
-
ReviewConjuring the universe: the origins of the laws of nature
Peter Atkins’ latest book is an ’elegant love letter’ to the simplicity and beauty of the mathematics that govern our universe
-
-
ResearchMagnetism puts new spin on separating mirror image molecules
Enantiomers can be identified and separated using a magnetised substrate
-
ResearchMachine learning masters molecules
Deep learning algorithms set to transform time-consuming molecular screening programs
-
NewsTheoretical chemistry group takes stand on all-male speaker lists
The RFCT in France has taken a radical step to address gender diversity at conferences
-
ResearchMethanol polymorphs predicted with unprecedented accuracy
Ability to map phase diagrams using quantum calculations could benefit pharma research
-
ResearchPlasmon chemistry sheds new light on designing photocatalysts
Quasiparticle observed getting involved in dissociation reaction
-
ResearchTuring patterned membrane takes on water purification
Mathematician Alan Turing’s sole chemistry paper inspires self-assembling spotted and striped polymer structures
-
BusinessBig business computing
Chemical and oil firms are using supercomputers to improve every part of their operations. Angeli Mehta reports
-
-
ResearchAlloy takes on improbable 'negative pressure' structure
New route to create materials almost impossible to make normally
-
OpinionWhy you should care about Fair data
The benefits of findable, accessible, interoperable and re-useable information