Quantum and theoretical chemistry – Page 9
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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
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ResearchClever computers find solutions to NaOH structural puzzle
Researchers train neural network to uncover the complex structures of common base in solution
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ResearchTheory finds window for astatine species’ existence
Researchers take investigation of iodine–astatine–bromine trihalogen anion into the lab
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ResearchTitanic calculations reveal nickel isotope is ‘doubly magic’
Supercomputer confirms nickel-78 is highly stable
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OpinionBig data needs big theory
The seductive promise of huge datasets could become a big distraction
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ResearchQuantum computer simulates hydrogen molecule
Prototype shows potential for more complex electronic structure calculations
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ResearchScientists finally calculate water’s freezing point from scratch
Machine learning shows how van der Waals forces help explain watery wonders like floating ice cubes
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ResearchAll-metal sandwich inspires a theoretical following
Recently discovered [Sb3Au3Sb3]3– has multiple groups hunting for answers
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ResearchIron-rich silicate plays cosmic matchmaker
Findings could help explain abundance of molecular hydrogen in interstellar space
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ResearchScientists claim to have seen ‘new state’ of water
Scepticism that water molecules with delocalised protons can be described as an unknown phase of water
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OpinionHoming pigeons should thank quantum chemistry
Philip Ball asks whether quantum biology holds the secret to how birds navigate