Electronic structure benchmark calculations of inorganic and biochemical carboxylation reactions. - Oscar A. Douglas-Gallardo; David Adrian Saez; Stefan Vogt-Geisse; Esteban Vöhringer-Martinez (J. Comput. Chem., 2019)

Electronic structure benchmark calculations of CO2 fixing elementary chemical steps in RuBisCO using the projector-based embedding approach. - Oscar A. Douglas-Gallardo; Ian Shepherd; Simon J. Bennie; Kara E. Ranaghan; Adrian J. Mulholland; Esteban Vöhringer-Martinez (J. Comput. Chem., 2020)