Published in
Royal Society of Chemistry, Chemical Communications
DOI: 10.1039/c8cc05581e
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Post Hartree–Fock calculations of pnictogen–uranium bonding in EUF3 (E = N–Bi)
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Abstract
CASSCF and CASPT2 calculations are reported on EUF3 (E = N, P, As, Sb, Bi), emphasising the influence of the size of the active space on the E–U bond.