TY - RPRT TI - CpFe(CO) 2 Radical Generated from Dinuclear [CpFe(CO) 2 ] 2 and Mononuclear (Cp)(CO) 2 Fe(H): Density Functional Theory Is Accurate for One, But Not Both AU - Quirion, Kevin P. [Brigham Young Univ., Provo, UT (United States)] AU - Singh, Roushan Prakash [Univ. of Illinois, Chicago, IL (United States)] (ORCID:0000000162793040) AU - Mankad, Neal P. [Univ. of Illinois, Chicago, IL (United States)] (ORCID:0000000169235164) AU - Ess, Daniel H. [Brigham Young Univ., Provo, UT (United States)] (ORCID:0000000156899762) PY - 2025 DO - 10.1021/acs.jpca.5c03507 UR - https://www.osti.gov/biblio/3008319 ID - 3008319 ER -