Quantum and theoretical chemistry – Page 8
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ResearchMaterial containing perfectly planar octacoordinate titanium predicted
Titanium falls flat in an eight-membered boron ring
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ResearchHuge molecular fragment quantum tunnels in everyday lab reaction
First example of a whole trifluoromethyl group sneaking through an energy barrier
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NewsVirtually chemistry
Gaming-style tech is putting the fun into fundamental molecular simulations
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ResearchImmense oganesson projected to have no electron shells
Theory predicts that element 118 would be surrounded by a smear of electrons
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ResearchHydrogens caught tunnelling in tandem
Researchers capture images of concerted quantum tunnelling
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NewsGame over for the original kilogram
The big K has performed admirably for over a century but all the data is in to redefine the kilogram using natural constants
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OpinionComputational chemistry: a virtual reality?
Computers are getting better at modelling chemistry. But there are still many challenges to overcome.
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FeatureQuantum chemistry on quantum computers
The special properties of quantum computers should make them ideal for accurately modelling chemical systems, Philip Ball discovers
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ResearchChemists unravel why humans aren’t constantly bursting into flames
Strong π-bonding holds the secret to taming dioxygen diradicals
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ResearchHypothetical molecule might take wing in bird geometry
Yet-to-be-synthesised iodabenzene could be stabilised by functional groups that support a bird-shaped isomer
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ResearchFirst +5 praseodymium compound with PrN triple bond made
The second ever praseodymium compound with a +5 oxidation state paves the way for pentavalent lanthanide chemistry
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ResearchA golden future for hydrogen bonding
Relativistic effects responsible for positively charged Au(I) hydrogen bond acceptor
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ResearchNeural network provides accurate simulations without the cost
An efficient new computer brain can provide quick answers to computational chemistry problems
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ResearchChiral molecules could recognise each other’s spin
Charge polarisation could provide an answer to how nature can distinguish mirror image molecules
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ResearchBizarre new state of matter made: crystal that repeats in time and space
Two research teams create exotic state of matter many scientists thought could never exist
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ResearchUltrafast lasers promise to make lead ‘look like’ gold
Theoretical study suggests atomic mimicry could reshape spectroscopy, information processing – and even chemical reactivity