TY - RPRT TI - Designing molecular qubits: computational insights into first-row and group 6 transition metal complexes AU - Sauza-de la Vega, Arturo [Univ. of Chicago, IL (United States)] (ORCID:0000000179573351) AU - DarĂ¹, Andrea [Univ. of Chicago, IL (United States)] (ORCID:0000000208252101) AU - Nofz, Stephanie [Univ. of Chicago, IL (United States)] (ORCID:0009000560182402) AU - Gagliardi, Laura [Univ. of Chicago, IL (United States)] (ORCID:0000000152271396) PY - 2025 DO - 10.1039/d5sc02544c UR - https://www.osti.gov/biblio/3375616 ID - 3375616 ER -