Beyond Density Functional Theory: The Multiconfigurational Approach To Model Heterogeneous Catalysis

Full Citation

C. A. Gaggioli, S. J. Stoneburner, C. J. Cramer, and L. Gagliardi, Beyond Density Functional Theory: The Multiconfigurational Approach To Model Heterogeneous Catalysis, ACS Catal., 2019, 9, 8481–8502. DOI: 10.1021/acscatal.9b01775