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Generalised density functional theory for accurate chemistry

  • Gilbert, Andrew (PI)
  • Gill, Peter M W (PI)
  • Gill, Peter M W (PI)
  • Gill, Peter (CoI)

    Project: Research

    Project Details

    Description

    The Project aims to construct two new methods for predicting chemical structure, bonding and reactivity. The first of these (gLDA2) will be useful for modelling molecules whose electrons are constrained to a two-dimensional plane. The second (gLDA3), wi
    StatusFinished
    Effective start/end date1/01/1631/12/21

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