Brian J O'Callaghan

PDBcal: A Comprehensive Dataset for Receptor–Ligand Interactions with Three‐dimensional Structures and Binding Thermodynamics from Isothermal Titration Calorimetry

Samy O Meroueh, S. Meroueh, Liwei Li, 2008, Chemical biology & drug design.

Comparison of Semiempirical ZILSH and DFT Calculations of Exchange Constants in the Single Molecule Magnet [Fe8O2(OH)12(tacn)6](8.).

Brian J O'Callaghan, Ted A. O’Brien, 2007, Journal of chemical theory and computation.

"Squaring the circle": molecular squares and rectangles from chelate-induced structural transformations of known Fe10 and new Fe12 ferric wheels.

K. Abboud, G. Christou, Brian J O'Callaghan, 2007, Journal of the American Chemical Society.