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

Catalysis Electronic Structure - Modeling Properties

Publication Details

  • Authors: C. A. Gaggioli, S. J. Stoneburner, C. J. Cramer, and L. Gagliardi
  • Publication Number: 342
  • Year: 2019
  • Journal: ACS Catal.

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