Molecular Structures and Conformations of Polyphosphazenes—A Study Based on Density Functional Calculations of Oligomers by Huai Sun (1997, 10.1021/ja963077p)

Journal of the American Chemical Society 119, 3611–3618. Density-functional oligomer calculations motivate ionic bonding and nitrogen-to-P–X sigma-star donation; polymer conformational results are not themselves a structure determination of every cyclic adduct.