Home > Research > Browse

Research

Results for Density functional calculations

Publications & Outputs

  1. Coordination polymers based on alkylboronate ligands: synthesis, characterization, and computational modelling

    Berthomieu, D., Gervais, C., Renaudin, G., Reinholdt, M., Sene, S., Smith, M. E., Bonhomme, C. & Laurencin, D., 03/2015, In: European Journal of Inorganic Chemistry. 2015, 7, p. 1182-1191 10 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  2. All-electron CASPT2 study of Ce(eta(8)-C8H6)(2)

    Kerridge, A. & Kaltsoyannis, N., 06/2010, In: Comptes Rendus Chimie. 13, 6-7, p. 853-859 7 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review