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(a) NBO charge populations of 1-substituted cyclobutene derivatives 2a, 3a, 4a and 5b, the corresponding ring-opened ruthenium carbenes of 2a and 3a, and ruthenium benzylidene. Hartree-Fock calculations were performed with the 6-311G++* basis set (for cyclobutene monomers) and the LANL2DZ basis set (for ruthenium carbenes) in Gaussian 03W. (b) AIM electron densities (atomic units) for the olefin bonds in 1-substituted cyclobutene derivatives 2a and 4a were calculated with AIMPAC.
