Hybrid supermolecule-polarizable continuum approach to solvation: Application to the mechanism of the Stevens rearrangement. - George L. Heard; Brian F. Yates (J. Comput. Chem., 1996)

Economical treatments of relativistic effects and electron correlation in WH6. - Roland H. Hertwig; Wolfram Koch; Brian F. Yates (J. Comput. Chem., 1998)

Computational Quantum Chemistry Experiments via the Web. - Brian F. Yates; Brian J. Duke (International Conference on Computational Science, 2003)

Associative versus dissociative binding of CO to 4d transition metal trimers: A density functional study. - Matthew A. Addicoat; Mark A. Buntine; Brian F. Yates; Gregory F. Metha (J. Comput. Chem., 2008)

The influence of peripheral ligand bulk on nitrogen activation by three-coordinate molybdenum complexes - A theoretical study using the ONIOM method. - Nigel J. Brookes; David C. Graham; Gemma Christian; Robert Stranger; Brian F. Yates (J. Comput. Chem., 2009)