Molecular Structures and Conformations of Polyphosphazenes—A Study Based on Density Functional Calculations of Oligomers by Huai Sun (source code)

= Molecular Structures and Conformations of Polyphosphazenes—A Study Based on Density Functional Calculations of Oligomers by Huai Sun
{c}
{tag=Work by Huai Sun}
{title2=1997}
{title2=10.1021/ja963077p}

https://doi.org/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.