All Physical chemistry articles – Page 2
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ResearchAI enantioselectivity predictor set to power computational catalyst screening
Workflow involves mapping a reaction representation onto the activation energy of the stereocontrolling step
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ResearchEasy and efficient entropies for everyone
Conformational analysis package gains ability to automatically evaluate entropy
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ResearchChemists reconsider the impact of through-space effects
Through-space electrostatic effects are shown to be dominant in certain radical reactions, where previously through-bond interactions were thought to determine reaction rate
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ResearchCoordinative bonding to carbon more nuanced than first thought
New insights from valence bond theory enhance understanding of bonding in carbones
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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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ResearchHow many water molecules make a droplet?
Water molecules behave like bulk water when surrounded by a sea of 20 others
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ResearchDFT boosts machine-learning models of nucleophilic aromatic substitution reactions
Best of both worlds for computational organic chemistry predictions
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ResearchExperimental proof of liquid–liquid transition in supercooled water
Diffraction measurements taken whilst laser heating pressurised water from an exotic frozen state
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ResearchUltrafast experiments capture speed-of-light excitation delay as photon travels across H2
Photon excites one end of the molecule first, and then the other end 247 zeptoseconds later
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ResearchSulfur study delivers first experimental proof of a liquid–liquid critical point
Researchers interpret density anomaly as a sign of the critical opalescence phenomenon
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ResearchMagnetic shielding maps reveal molecules’ aromaticity
Computational method is intuitive way to visualise Clar’s rule in polycyclic aromatic hydrocarbons
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ResearchNMR findings suggest solution to enhanced diffusion dispute
Energy release rate may solve the puzzle of why the phenomenon is seen in some systems but not others
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ResearchComplex molecule diffraction can start to Bragg
Diffraction with a drug and a dye takes interferometry with large molecules to the next level
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ResearchComputational study supports theory that water has a second critical point
Liquid-liquid phase transition at deeply supercooled conditions could explain water’s distinctive behavior
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OpinionDick Zare: ‘I got into big fights with my science teacher’
The Stanford physical chemist recounts his eventful childhood in Cleveland, and how his first chemistry experiment led to a spanking
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ResearchMolecular experiments hope to reveal new physics
Detecting extremely short-lived radium fluoride can explore standard model’s limits
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ResearchHeatmap software shows location and extent of strain in cyclic molecules
Visual bridge between physical and organic chemistry
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FeatureThe weirdness of water
Can we explain the strange properties of water by thinking of it as two different liquids? Rachel Brazil dives into the ongoing debate
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FeatureThe Middle East’s synchrotron is open Sesame
How difficult is it to build a world-class research facility in the Middle East? Kit Chapman investigates