| 1 |
Computational methods for the study of enzymic reaction mechanisms. 1. Application to the hydride transfer step in the catalysis of dihydrofolate reductase
Cummins PL, Greatbanks SP, Rendell AP, Gready JE
Journal of Physical Chemistry B, 106(38), 9934, 2002 |
| 2 |
Solvation and Solid-State Effects on the Structure and Energetics of the Tautomers of Creatinine
Craw JS, Greatbanks SP, Hillier IH, Harrison MJ, Burton NA
Journal of Chemical Physics, 106(16), 6612, 1997 |
| 3 |
An embedding approach for the calculation of STM images: Method development and application to galena (PbS)
Becker U, Greatbanks SP, Rosso KM, Hillier IH, Vaughan DJ
Journal of Chemical Physics, 107(18), 7537, 1997 |
| 4 |
Adsorption of Water and Methanol on Zeolite Bronsted Acid Sites - An Ab-Initio, Embedded-Cluster Study Including Electron Correlation
Greatbanks SP, Hillier IH, Burton NA, Sherwood P
Journal of Chemical Physics, 105(9), 3770, 1996 |
| 5 |
Embedded Luster Model for the Ab-Initio Study of Bronsted Acidity in Zeolites
Greatbanks SP, Sherwood P, Hillier IH
Journal of Physical Chemistry, 98(33), 8134, 1994 |
