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Jenna A. Bilbrey, Arianna H. Kazez, Jason Locklin and Wesley D. Allen Exact ligand cone angles Journal of Computational Chemistry 34

Article first published online: 13 FEB 2013 | DOI: 10.1002/jcc.23217

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A mathematically rigorous method is derived for determining exact ligand cone angles and is applied to over 150 complexes of phosphine and amine ligands bound to palladium, nickel, or platinum, as optimized by B3LYP/6-31G* density functional theory with effective core potentials.

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