Quantum and theoretical chemistry – Page 7
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Research
Atomic Eiffel tower looms over quantum computing landscape
Many-atom arrays may become ideal quantum simulators for chemical systems
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Research
Observing orbitals solves hydrogen transfer puzzle
Visualising atoms’ wave function lets chemists tell true from indirect hydrogen atom transfer
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Research
Valence bond theory probes fundamental nature of hydrogen bonding
New insight reignites covalent versus electrostatics debate
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Research
Trapped-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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Review
Beyond 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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Research
Errors 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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Research
Delocalisation pins down meaning of bond order
Reliable bond order definition provides new insights into covalency
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Opinion
Making gender equality more than theoretical
How the French Network for Theoretical Chemistry is addressing gender imbalance at conferences
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Research
Spins doctor water’s reactivity
Ultracold experiments reveal water isomers have different reaction rates
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Research
Carbon bubble-wrap could be packed with interesting behaviour
Theoretical chemists devise nanoscale version of satisfyingly interactive packaging material
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News
Theoretical 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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Research
Plasmon chemistry sheds new light on designing photocatalysts
Quasiparticle observed getting involved in dissociation reaction
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Research
Hundreds 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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Research
Quantum computing can go chemical with molecular qubits
Metal–organic frameworks could perform calculations to simulate molecules
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Research
Simulations solve 200-year-old ionic mystery of water
Puzzle of why hydronium ions diffuse quicker than hydroxide ions cleared up
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Research
Molecules’ 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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Research
First 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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Research
Call 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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News
Quantum dots and a bright future
Tune in to the amazing semiconductors giving colour to your TV