Mechanistic Aspects of Propene Epoxidation by Hydrogen Peroxide. Catalytic Role of Water Molecules, External Electric Field, and Zeolite Framework of TS-1. - Jernej Stare; Neil J. Henson; Juergen Eckert 002 (J. Chem. Inf. Model., 2009)

ForceFit: A code to fit classical force fields to quantum mechanical potential energy surfaces. - Benjamin Waldher; Jadwiga Kuta; Samuel Chen; Neil J. Henson; Aurora E. Clark (J. Comput. Chem., 2010)

Applicability of density functional theory in reproducing accurate vibrational spectra of surface bound species. - Ivana Matanovic; Plamen Atanassov; Boris Kiefer; Fernando H. Garzon; Neil J. Henson (J. Comput. Chem., 2014)