We use contemporary methods to study the properties and reactions of biologically important molecules. We choose problems for which computational studies complement experimental studies and for which there is a significant probability that our investigations will yield new insight.

“Self-Assembling ADADA Helices Formed by Hydrogen Bonding,” A. Taylor, V. E. J. Berryman, and Russell J. Boyd* (J. Phys. Chem. A, 2012, 116, 7965-7975) “Visualizing Internal Stabilization in Weakly Bound Systems Using Atomic Energies: Hydrogen Bonding in Small Water Clusters.” L. Albrecht and Russell J. Boyd* (J. Phys. Chem. A, 2012, 116, 3946-3951). “Selenium Stories.” Russell Boyd* (Nature Chem., 2011, 3, 570) “Systematic Study of the Performance of Density Functional Methods for the Prediction of Energies and Geometries of Organoselenium Compounds.” (J. Phys. Chem. A, 2011, 115, 4827-4831 “The Effect of Multiplicity on the Size of Iron (II) and the Structure of Iron (II) Porphyrins.” V. E. J. Walker, N. Castillo, C. F. Matta, and Russell J. Boyd* (J. Phys. Chem. A, 2010, 10315-10319)