X-ray Crystallography

<p>A poster made for display in a school showing applications of X-ray crystallography.</p

Crystal Engineering of a Series of Aromatic Amines with Planar Nickel(II) Complexes

<p>A poster descriving the similarities in the hydrogen bonding patterns in a series of pyridinium salts of nickel(II)bis(dithiooxalate). This poster was originally presented at the 2008 BCA spring meeting at York university. </p

Iridium DMSO driver calculations

Input and output files and XYZ coordinates from driver calculations on the trans-bis(DMSO)tetrachloroiridate anion. The effect of rotation of one DMSO ligand about the Ir–S axis is investigated by DFT. B3LYP-D def2-svp on all atoms but Ir, which was treated with the Stuttgart-Dresden ECP and def2-tzvp for the valence electrons