Quantum and theoretical chemistry – Page 2
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ResearchWay to unlock polaritons’ ‘magic power’ discovered
Controlling polaritonic chemistry could lead to better solar cells – or even lightsabers
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OpinionQuantum deception attempts turning water into wine
The effect lasts only a few picoseconds but demonstrates a way to manipulate the optical properties of materials
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ResearchReactivity of helium could be unlocked by a combination of fluorine and extreme pressures
Computational studies reveal covalent helium-fluorine bonds
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ResearchUnprecedented pentacoordinate oxygen cluster isn’t so new after all
Scientists design a star-shaped dianion only to discover it had probably been synthesised nearly two decades ago
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ResearchFluorine surprises by becoming heaviest atom ever to quantum tunnel
First experimental evidence of tunnelling in fluorine pushes the boundary of our understanding of chemical bonding
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ResearchStrain can unlock electron-donating orbital in tetravalent carbon atoms
Computational study shows how apical carbons in propellanes and pyramidanes can form hydrogen, halogen, chalcogen, pnictogen and tetrel bonds
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ResearchMicrowaves’ non-thermal effects on a chemical reaction demonstrated for first time
Molecular beam experiments shift reaction rate by manipulating reactant’s quantum state
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Research‘Bowtie-shaped’ molecule displays spin entanglement
A new solution synthesis strategy could catapult quantum applications
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NewsChatbot developers hope to make computational chemistry more accessible
AutoSolvateWeb could help undergraduates upwards simulate solvation
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ResearchCollective coupling strength must be larger than previously thought to guarantee delocalised polaritons
Findings challenge previously accepted criteria for robust delocalisation within the strong coupling regime
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CareersFrom professional ballet dancer to quantum chemist
Creativity has been central to James Shee’s career across both art and science
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OpinionChemists amid coronavirus five years on: Anya Gryn’ova
A computational chemist has moved from being group leader at a German research institute to an associate computational chemistry prof in the UK
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ResearchSupramolecular ‘qudits’ offer a way to power-up quantum computers
Hydrogen bonding harnessed to produce molecular qubit with four quantum states
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OpinionLetters: February 2025
A reader argues for greater use of quantum chemistry in Iupac definitions
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OpinionCelebrating 100 years of the Pauli exclusion principle
How a quantum view of electron states enabled us to understand the stability of matter
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ResearchComputer simulation of carbonless DNA prompt researchers to consider alternative biochemistries
Researchers swap nitrogen and boron into DNA to create analogues that are geometrically and electrostatically equivalent to conventional DNA
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ResearchQuantum tunnelling explains why several supposedly stable benzene isomers will never be made
Research highlights importance of considering quantum effects in computational studies on strained molecules
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OpinionFermi’s questions and the importance of estimation
Knowing how to approximate the unknown is a much undervalued skill
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ResearchChloride ions tunnel free from PVC
Computational clues uncover quantum escape route from common plastic
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ResearchHydrogen dimers finally detected at room temperature
Researchers revisit spectrum of fragile dimer with high-sensitivity spectroscopy