Publications

Location and conformation of n-alkanes in zeolites: an analysis of configurational-bias Monte Carlo calculations

Authors:
Bates, SP | Van Well, W.J.M. | Van Santen, R.A. | Smit, B.
Year of Publication:
1996

Ab initio simulation of molecular processes on oxide surfaces

Authors:
Lindan, PJD | Muscat, J. | Bates, S. | Harrison, N.M. | Gillan, M.
Year of Publication:
1997

Computational study of zeolitic-proton [ndash] palladium chemistry

Authors:
Harmsen, R. | Bates, S. | Van Santen, R.A.
Year of Publication:
1997

A systematic study of the surface energetics and structure of TiO< sub> 2</sub>(110) by first-principles calculations

Authors:
Bates, SP | Kresse, G. | Gillan, MJ
Year of Publication:
1997

Configurational-Bias Monte Carlo (CB-MC) calculations of n-alkane sorption in zeolites RHO and FER

Authors:
Bates, SP | Van Well, W.J.M. | Van Santen, R.A. | Smit, B.
Year of Publication:
1997

Broensted acidity in zeolites

Authors:
Dwyer, J. | Khodakov, A. | Bates, S. | MAKAROVA, M. | ZHOLOBENKO, V.
Year of Publication:
1997

The chemical nature of atomic oxygen adsorbed on Rh (111) and Pt (111): A density functional study

Authors:
Chen, M. | Bates, SP | Van Santen, R.A. | Friend, CM
Year of Publication:
1997

Intrinsic and enhanced broensted acidity in zeolites

Authors:
Dwyer, J. | ZHOLOBENKO, V. | Khodakov, A. | Bates, S. | Makarova, MA
Year of Publication:
1997

Adsorption of methanol on TiO2 (110): A first-principles investigation

Authors:
Bates, SP | Gillan, MJ | Kresse, G.
Year of Publication:
1998

Energetics of n-alkanes in zeolites: a configurational-bias Monte Carlo investigation into pore size dependence

Authors:
Bates, SP | Van Well, W.J.M. | Van Santen, R.A. | Smit, B.
Year of Publication:
1996

Brønsted sites of enhanced acidity in zeolites: experimental modelling

Authors:
Makarova, MA | Bates, SP | Dwyer, J.
Year of Publication:
1995

The changes in attitudes and beliefs of first year physics undergraduates: A study using the CLASS survey.

Authors:
Slaughter, KA | Bates, SP | Galloway, RK
Year of Publication:
2011

Student-generated content: using PeerWise to enhance engagement and outcomes in introductory physics courses

Authors:
Bates, SP | Galloway, RK | McBride, K.L.
Year of Publication:
2011

Ab initio study of carbon monoxide adsorption on zeolites

Authors:
Bates, S. | Dwyer, J.
Year of Publication:
1993

Quantum Chemical Calculations of Zeolite Acid-site Models and Their Complexes with Bases

Authors:
Bates, SP
Year of Publication:
1994

Ab initio study of a Brønsted acid site model and complex with CO, with and without symmetry constraints

Authors:
Bates, S. | Dwyer, J.
Year of Publication:
1994

Ab initio study of methanol sorption and proton transfer on a zeolite acid site model

Authors:
Bates, S. | Dwyer, J.
Year of Publication:
1994

Improvements in ab initio calculated OH stretching frequencies of zeolite acid site models and other OH-containing molecules, using a Morse potential

Authors:
Bates, S. | Dwyer, J.
Year of Publication:
1994

Ab initio study of methanol sorption and proton transfer on a zeolite acid site model

Authors:
Bates, S. | Dwyer, J.
Year of Publication:
1995

In Situ Modeling of the Enhanced Broensted Acidity in Zeolites

Authors:
Makarova, MA | Bates, SP | Dwyer, J.
Year of Publication:
1995