Automatic State Interaction with Large Localized Active Spaces for Multimetallic Systems
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Full Citation
V. Agarawal, D. S. King, M. R. Hermes, and L. Gagliardi, Automatic State Interaction with Large Localized Active Spaces for Multimetallic Systems, J. Chem. Theory Comput., 2024, 20, 4654-4662. DOI: 10.1021/acs.jctc.4c00376