Tag: quantum chemistry


  • Core Electron Bonding Possible Without Extreme Pressure

    Core Electron Bonding Possible Without Extreme Pressure

    Core Electron Bonding Reexamined Researchers from the University at Buffalo have challenged a long‑standing tenet of chemistry: core electrons, nestled deep inside an atom near the nucleus, are typically considered nonparticipatory in bonding. In a study published in the Journal of the American Chemical Society, UB scientists used advanced quantum chemical calculations to show that…

  • Core Electron Bonding Under Pressure Reconsidered in Alkali

    Core Electron Bonding Under Pressure Reconsidered in Alkali

    New Insights Challenge Classic Core Electron Bonding In a surprising turn that could rewrite a chapter of chemistry, researchers at the University at Buffalo have suggested that core electrons may participate in chemical bonding under far gentler conditions than previously believed. The team’s quantum chemical calculations, published in the Journal of the American Chemical Society,…

  • Core Electron Bonding at Low Pressure in Alkali Metals

    Core Electron Bonding at Low Pressure in Alkali Metals

    Core Electron Bonding at Low Pressure: A New View of Chemical Bonds It’s long been taught that core electrons—the deeply buried electrons closest to the nucleus—don’t take part in chemical bonding. They’re considered too tightly held to be influenced by neighboring atoms’ electrons, leaving the outer, or valence, electrons to do the bonding work. Yet…