Physical chemistry
The latest chemistry news and research on physical chemistry, including quantum and theoretical, bonding, computational and surfaces and interfaces, from the Royal Society of Chemistry's magazine, Chemistry World
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ResearchSupramolecular ‘qudits’ offer a way to power-up quantum computers
Hydrogen bonding harnessed to produce molecular qubit with four quantum states
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ResearchComputational study says nucleophile finds σ-holes more attractive than π-holes
A σ-hole leads to a stronger bond with NH3 than a π-hole on the same atom
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WhitepaperPass or fail: rapid polymer analysis with FTIR
Your guide to quick and reliable verification of polymers with the Lyza 7000 FTIR spectrometer
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OpinionLetters: February 2025
A reader argues for greater use of quantum chemistry in Iupac definitions
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News‘Chemistry will no longer be an exclusive club’: how AI is changing Omar Yaghi’s work
UC Berkeley’s reticular chemistry pioneer tells us about his new institute using AI to tackle climate change
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ResearchComputer simulations shed light on how material can shrink when heated
New theory offers insights into the origin of the very low and negative thermal expansion observed in cordierite
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OpinionCelebrating 100 years of the Pauli exclusion principle
How a quantum view of electron states enabled us to understand the stability of matter
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ResearchSimulations suggest why highly unsaturated molecules are so abundant in the interstellar medium
Shocks, cosmic rays and x-rays seem to ionise and fragment saturated molecules via mechanisms that result in structures with the highest possible number of π bonds
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OpinionRobots queuing up to fail
Claims of an AI revolution in drug discovery are missing the biggest problem
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ResearchComputer simulation of carbonless DNA prompt researchers to consider alternative biochemistries
Researchers swap nitrogen and boron into DNA to create analogues that are geometrically and electrostatically equivalent to conventional DNA
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ResearchChemists use AI to uncover pigments used on Berlin Wall murals
Researchers hope work will help to preserve this art
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ResearchGPT-based AI tool predicts inorganic crystal structures
CrystaLLM uses GPT to arrange atoms, turning text-based data into numerical tokens
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OpinionSydney Young and his evaporative fractionator
Developments in distillation find us in good spirits
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WhitepaperDigital tools for deft materials development
Discover how Microsoft can help you turn years of lab work into days of computation
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ResearchIncorrect pKa values have slipped into chemical databases and could distort drug design
Confusion in zwitterionic compounds leads to misrepresented data in widely used repositories such as ChEMBL
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OpinionLetters: December 2024
Readers share concerns over classifying ethanol as reprotoxic, celebrate undergraduate practical innovation, and more
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ResearchAI tool learns to build molecules fragment by fragment
Software tasked with designing a type-II kinase inhibitor suggests 97 candidates in 10 minutes, three of which were both synthesisable and effective at micromolar and nanomolar concentrations
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NewsSuperconductivity researcher at centre of misconduct scandal departs University of Rochester
Several of Ranga Dias’s papers have been retracted amid data manipulation allegations
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NewsAlphaFold developer says AI is just getting started in science
Chemistry Nobel laureate John Jumper says latest version of AlphaFold is making good progress on interactions between molecules and protein
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ResearchLarge language models are better than humans at answering chemistry questions
AI models outperform human chemists in every topic area. But are they really better chemists?