Quantum and theoretical chemistry – Page 8
-
FeatureQuantum chemistry on quantum computers
The special properties of quantum computers should make them ideal for accurately modelling chemical systems, Philip Ball discovers
-
ResearchChemists unravel why humans aren’t constantly bursting into flames
Strong π-bonding holds the secret to taming dioxygen diradicals
-
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
-
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
-
ResearchA golden future for hydrogen bonding
Relativistic effects responsible for positively charged Au(I) hydrogen bond acceptor
-
-
ResearchNeural network provides accurate simulations without the cost
An efficient new computer brain can provide quick answers to computational chemistry problems
-
ResearchChiral molecules could recognise each other’s spin
Charge polarisation could provide an answer to how nature can distinguish mirror image molecules
-
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
-
ResearchUltrafast lasers promise to make lead ‘look like’ gold
Theoretical study suggests atomic mimicry could reshape spectroscopy, information processing – and even chemical reactivity
-
ResearchClever computers find solutions to NaOH structural puzzle
Researchers train neural network to uncover the complex structures of common base in solution
-
ResearchTheory finds window for astatine species’ existence
Researchers take investigation of iodine–astatine–bromine trihalogen anion into the lab
-
ResearchTitanic calculations reveal nickel isotope is ‘doubly magic’
Supercomputer confirms nickel-78 is highly stable
-
OpinionBig data needs big theory
The seductive promise of huge datasets could become a big distraction
-
ResearchQuantum computer simulates hydrogen molecule
Prototype shows potential for more complex electronic structure calculations
-
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
-
ResearchAll-metal sandwich inspires a theoretical following
Recently discovered [Sb3Au3Sb3]3– has multiple groups hunting for answers
-
ResearchIron-rich silicate plays cosmic matchmaker
Findings could help explain abundance of molecular hydrogen in interstellar space
-
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
-
OpinionHoming pigeons should thank quantum chemistry
Philip Ball asks whether quantum biology holds the secret to how birds navigate