Lili Cao

Doctoral Student
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  1. 2019
  2. Extremely large differences in DFT energies for nitrogenase models

    Lili Cao & Ulf Ryde, 2019, In : Physical Chemistry Chemical Physics. 21, 5, p. 2480-2488 9 p.

    Research output: Contribution to journalArticle

  3. 2018
  4. On the difference between additive and subtractive QM/MM calculations

    Lili Cao & Ulf Ryde, 2018 Apr 1, In : Frontiers in Chemistry. 6, APR, 89.

    Research output: Contribution to journalArticle

  5. Influence of the protein and DFT method on the broken-symmetry and spin states in nitroge

    Lili Cao & Ulf Ryde, 2018 Mar 14, In : International Journal of Quantum Chemistry. 118, p. 1 16 p., e25627.

    Research output: Contribution to journalArticle

  6. Insight into the reaction mechanism of lipoyl synthase: a QM/MM study

    Dong, G., Lili Cao & Ulf Ryde, 2018 Mar, In : Journal of Biological Inorganic Chemistry. 23, 2, p. 221-229

    Research output: Contribution to journalArticle

  7. 2017