A study of the coordination chemistry of bis(diphenylphosphino)acetylene, Ph2P–CC–PPh2, with selected group 4 metallocenes is presented. By substitution of the alkyne in complexes of the type Cp′2M
Numerical data and plotting scripts for regenerating figures in the article "Geometric direct minimization for low-spin restricted open-shell Hartree–Fock". See README for more details.
