Quantum and theoretical chemistry – Page 4
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ResearchRich chemistry revealed by tip microscopy pulses’ bond making and breaking
Using an STM, scientists have been able to precisely switch between three different molecules, opening the way to multiple selective transformations
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ResearchPerfectly planar stable silicon clusters with six contacts predicted
Hexacoordinated systems theorised to remain stable, even with protecting ligands
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ResearchQuantum nature of hydrogen bonds observed in acid–base complex
Spectroscopic evidence of proton delocalisation could change the way we approach acid–base chemistry
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OpinionLetters: June 2022
Readers share poems and memories, and report a textbook theft by the man who stole Einstein’s brain
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ResearchMagnetic fields generate intricate periodic trends
By including magnetic fields in conceptual DFT, scientists have been able to use it to predict chemical behaviour under extreme conditions
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ResearchRydberg atoms can form molecular bonds with charged species
Researchers observe unusual bond, which is substantially longer than classical covalent interactions
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ResearchVibrational reactivity control harnesses quantum realm to speed up chemistry
‘Quantum phase control’ supercharges reaction between chlorine and singly deuterated methane at ambient temperature
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ResearchMagnetic fields can have a huge impact on reactivity of ultracold molecules
Probability of a reaction occurring increases 100-fold and points to quantum control of chemistry
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ResearchSwimming molecules come under intense scrutiny
Discoverers of enhanced diffusion in click cycloaddition reactions stand firm after other groups say they can’t reproduce the findings
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ResearchNew phenomenon ‘quantum friction’ explains water’s bizarre properties
Theory offers explanation why water behaves oddly when flowing through nanoscale carbon-based channels
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ResearchReal space alternative for magnetic spin-coupling models
Model for magnetic coupling moves past the orbital picture and overcomes its limitations
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ResearchDirect evidence emerges for the existence of two forms of liquid water
Low temperature experiments with sugary solution reveal transition from low- to high-density states at pressure
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ResearchListening to quantum beats could reveal rhythm of birds’ migratory compass
Laser technique to read out oscillating spin states could help uncover how animals’ magnetic sense works
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ResearchAlgorithm out of Google’s DeepMind finesses DFT calculations
Machine learning creates algorithm that avoids large errors in solutions to certain problems
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ResearchQuantum double-slit experiment done with molecules for the first time
Researchers prepare ‘new type of matter’ to conduct classic wave–particle duality experiment
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ResearchFirst vortex beam made entirely of atoms
Twisting atoms’ quantum mechanical wave function into a helix could reveal insights into atom–matter interactions
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ResearchTransient quantum fluctuations tune polymer self-assembly
Chemists use to the universe’s random electromagnetic fluctuations to profoundly change a compound’s supramolecular organisation
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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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FeatureThe search for the grand unification of aromaticity
Researchers have been trying to find a full definition of aromaticity for almost two centuries, and yet keep discovering new types
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ResearchChemists control reaction path with mechanical force
Mechanochemical mechanism exploited to access unconventional trajectories on a reaction’s potential energy surface