Quantum Chemistry

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Questions and Answers

What is the principal object of molecular structure according to QTAIM?

  • Gradient paths of the electron density
  • Molecular charge distribution
  • Nuclei distribution function
  • Electron density distribution function (correct)

What is the electron density distribution function of a molecule?

  • A mathematical function describing the bond length
  • A function describing the nuclei distribution
  • A probability distribution describing the average manner of electronic charge distribution throughout real space (correct)
  • A measure of the electron's speed

What reveals molecular structure according to QTAIM?

  • X-ray crystallography
  • Infrared spectroscopy
  • Stationary points of the electron density and the gradient paths (correct)
  • Nuclear magnetic resonance

Who primarily developed QTAIM?

<p>Professor Richard Bader and his research group at McMaster University (A)</p>
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What drove the development of QTAIM?

<p>Assumption that atoms and bonds should have a well-defined physical basis (D)</p>
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