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Molecular Structures by Theoretical Means: Applications to Metal Ion Monohydrates, Quadruply Bonded Dichromium(II) Complexes, and Carbonyl Labilization in Ligand Substitution Reactions, Faculty Dissertations (1988)
Ab initio Hartree-Fock-Roothaan self-consistent-field (HFR-SCF) and generalized valence bond (GVB) geometry optimizations are used to...