• G. Knizia, Intrinsic atomic orbitals: An unbiased bridge between quantum theory and chemical concepts J. Chem. Theory Comput., 9 4834 (2013)

    This article introduced the intrinsic atomic orbitals (IAOs) and intrinsic bond orbitals (IBOs). Publications using IBOs or other IAO-derived quantities (e.g., charges, bond orders) should cite this.

  • G. Knizia, J.E.M.N. Klein, Electron flow in reaction mechanisms --- revealed from first principles Angew. Chem. Int. Ed. 54 5518 (2015)

    This article showed that curly arrow reaction mechanisms do, in fact, have a physical basis, and moreover can be easily obtained by following IBO changes along a reaction path. Publications using IboView to investigate reaction mechanisms should cite this, and a citation would also be appreciated for other applications of IboView, as this is what IboView was primarily developed for.

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