Quantum and theoretical chemistry – Page 6
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ResearchTrapped-ion quantum computer does chemistry calculations for the first time
For an accurate quantum simulation, all you need is a few atoms
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ReviewBeyond weird: why everything you thought you knew about quantum physics is different
Philip Ball sets himself the task of explaining quantum mechanics
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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
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ResearchDelocalisation pins down meaning of bond order
Reliable bond order definition provides new insights into covalency
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OpinionMaking gender equality more than theoretical
How the French Network for Theoretical Chemistry is addressing gender imbalance at conferences
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ResearchSpins doctor water’s reactivity
Ultracold experiments reveal water isomers have different reaction rates
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ResearchCarbon bubble-wrap could be packed with interesting behaviour
Theoretical chemists devise nanoscale version of satisfyingly interactive packaging material
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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
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ResearchPlasmon chemistry sheds new light on designing photocatalysts
Quasiparticle observed getting involved in dissociation reaction
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ResearchHundreds of helium compounds could be hiding in Earth’s mantle
Although it doesn’t form any bonds, the noble gas can form compounds with salts at high pressure
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ResearchQuantum computing can go chemical with molecular qubits
Metal–organic frameworks could perform calculations to simulate molecules
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ResearchSimulations solve 200-year-old ionic mystery of water
Puzzle of why hydronium ions diffuse quicker than hydroxide ions cleared up
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ResearchMolecules’ vibrations linger longer than thought
Surface chemistry could be guided by vibrations that go on for orders of magnitude longer than previously reported
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ResearchFirst pictures of hydrogen molecule wave function unveiled
Using a combination of sophisticated equipment and theoretical methods, chemists pictured the square of the wave function of H2
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ResearchCall for chemists to stop ignoring quantum tunnelling
Deeper insights into reactions and how to build artificial enzymes could await those who come to terms with quantum phenomenon
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NewsQuantum dots and a bright future
Tune in to the amazing semiconductors giving colour to your TV
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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