Quantum and theoretical chemistry – Page 2
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ResearchQuantum chemical analysis uncovers previously overlooked contributor to carbocation stability trend
Introducing substituents destabilises the parent substrates
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ResearchAI beats human experts when it comes to peptide design
Algorithm throws up some counter-intuitive structures in contest
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OpinionQuantum computing has its limits
Error-prone qubits mean quantum systems do not yet surpass classical methods
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NewsExplainer: why are curly arrows used in organic chemistry?
How organic chemists became arrow pushers and what quantum chemists have to say about this
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NewsQuantum technology pioneers win physics Nobel
Alain Aspect, John Clauser and Anton Zeilinger are honoured for establishing quantum information science
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ResearchUntangling the spin-favouritism of chiral molecules
Theory shows why DNA can be picky over electron spin
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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