Physicists Bring Topological Band Theory to the Heart of Chemical Reactions
A many-body Green's function framework extends topological band theory to orbital-symmetry-controlled chemical reactions, revealing that forbidden pathways are marked by ...
Tag: quantum chemistry
Drought-Stressed Amaranth Leaves Reveal Metabolic Secrets Through a New Mass Spectrometry Lens
A new study maps drought-induced metabolic shifts in two amaranth cultivars using gas chromatography–mass spectrometry combined with a novel stochastic ...
Quantum Chemistry in a Browser Tab: New Platform Runs Full Calculations With Zero Installation
A new browser-based platform called GANSU Lite runs full quantum chemistry calculations, from Hartree–Fock to coupled cluster and vibrational analysis, ...
Water Molecules Shield Metal-Organic Framework From Ibuprofen’s Strongest Grip
Molecular dynamics simulations reveal that ibuprofen adsorbs in the pentagonal cavity of MIL-101(Cr)-F at 483 mg/g through pi-pi stacking and ...
Phenylium Ion Strikes Back: Key Aromatic Ring Builder in Space Restored
New experiments show the phenylium cation reacts efficiently with acetylene under interstellar-like conditions, restoring its role in forming the first ...
Scientists Uncover Electronic Secrets Behind Magic Magnesium Clusters
A new computational study reveals that quantum electron sharing between atoms, rather than classical electrostatics, drives the exceptional stability of ...
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Mothers who receive childcare support from maternal grandparents show more parental warmth, finds NTU Singapore study
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University of Seville Breaks 120-Year-Old Mystery, Revises a Key Einstein Concept
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Bee body mass, pathogens and local climate influence heat tolerance
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Researchers record first-ever images and data of a shark experiencing a boat strike
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Groundbreaking Clinical Trial Reveals Lubiprostone Enhances Kidney Function
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