All articles by Kira Welter – Page 3
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ResearchUnsupervised machine-learning tool could accelerate catalyst discovery
The approach was able to identify phosphine ligands that may form dinuclear palladium(I) complexes using only five experimental data points
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ResearchTextbook electronegativity model fails when it comes to carbon–halogen bond strengths
Computational analysis finds that it’s size, not electronegativity differences, determining bond strength within periodic table groups
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ResearchAre organic chemists discovering fewer reactions than they were decades ago?
Analysis of millions of transformations reveals reliance on popular methods – and the rise of complex reactions
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ResearchFirst fundamentally new form of adsorption for more than 90 years driven by molecular machines
Unlike physisorption and chemisorption, the newly discovered ‘mechanisorption’ is an active process that can store energy or chemicals
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ResearchExploiting evolution to explore chemical space shows promise for drug discovery
Using molecular trees – similar to family trees – chemists could predict how products will evolve to make new molecules
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ResearchMethod to make unusual oligonucleotides could be a boon for gene therapy drugs
Synthesis can insert unusual linkages into DNA molecules while rivalling industry standard chemistry in speed and efficiency
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ResearchBlue light squeezes out heteroatoms from small rings
Photochemical ring editing reaction allows complete molecular shape change in a single step
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ResearchApp creates floating 3D molecules from hand-drawn chemical structures
MolAR also lets users visualise molecules in water, coffee and fruit by scanning them with a smartphone camera
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ResearchLevitating glass bead closes in on quantum mechanics' fundamental limit
Two different methods track position and speed of an ultracold glass sphere with a precision that comes close to the limit set by Heisenberg’s uncertainty principle
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ResearchClever ring-strain engineering creates infinitely recyclable polymer – but are they ready to compete with commercial plastics?
Ultra-stable polymer that can be broken down into its feedstock could be a foot in the door to a circular plastics economy
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ResearchScientists uncover pitfalls of letting algorithms determine crystal structures
Chemists warn not to blindly trust x-ray crystallography software after finding and correcting mistakes in iodine azide structures
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ResearchBond between artificial and natural atom measured for the first time
Chemists reveal the tiny forces in chemical bonds between quantum corrals and AFM tip atoms
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ResearchAcidity of a single hydroxyl group measured with atomic precision for first time
Functionalised AFM tip used to assess the acidity of individual OH groups on an indium oxide surface
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ResearchMolecular ‘compass’ traces van der Waals interactions within a zeolite
The tiny device consists of single hydrocarbon molecules trapped in the channels of a zeolite
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ResearchExotic bond takes computational chemists by surprise
New results could help to solve the dispute around the strange Na–B bond in NaBH3–
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ResearchMachine learning tool sets out to find new antimicrobial peptides
IBM researchers say their fully automated AI-driven system could speed up the discovery of molecules for novel antibiotics
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ResearchFirst ever peek at excited molecular orbitals in real time
Approach offers future possibility of observing ultrafast electron motion in time and space
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ResearchWatching solvent molecules move in real time
X-ray techniques and molecular dynamics simulations were combined to obtain a molecular movie of a light-driven charge-transfer process
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NewsWage rise for Max Planck PhD candidates approved
Around 3400 doctoral researchers will benefit from the higher salary
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ResearchAtmospheric chemistry discovery could help Indian cities clear away the haze
High local HCl concentrations found to boost haze and fog formation in Delhi and Chennai