Publications

ChemInform Abstract: The Molecular Basis of Zeolite Catalysis: A Review of Theoretical Simulations

Authors:
Bates, SP | Van Santen, R.A.
Year of Publication:
1998

Molecular processes on oxide surfaces studied by first-principles calculations

Authors:
Gillan, MJ | Lindan, PJD | Kantorovich, LN | Bates, SP
Year of Publication:
1998

The molecular basis of zeolite catalysis: a review of theoretical simulations

Authors:
Bates, SP | Van Santen, R.A.
Year of Publication:
1998

Abinitio study of single and double point adsorption of carbon monoxide on clusters representing zeolites

Authors:
Khodakov, A. | Bates, SP | Dwyer, J. | Windsor, C.M. | Burton, N.A.
Year of Publication:
1999

Calculations of the electronic structure of substituted indoles and prediction of their oxidation potentials

Authors:
Kettle, L.J. | Bates, SP | Mount, A.R.
Year of Publication:
2000

Structure and properties of isolated liquid crystal molecules: jet spectroscopy and ab initio calculations of 4-cyanobiphenyl

Authors:
Richardson, P.R. | Bates, SP | Crain, J. | Jones, A.C.
Year of Publication:
2000

Energetically accessible reconstructions along interstitial rows onthe rutile (110) surface

Authors:
Elliott, S.D. | Bates, SP
Year of Publication:
2001

Comparison of experimental and calculated 1H NMR chemical shifts of geometric photoisomers of azo dyes

Authors:
Tait, K.M. | Parkinson, J.A. | Jones, A.C. | Ebenezer, W.J. | Bates, SP
Year of Publication:
2003

Assignment of the (1$\times$ 2) surface of rutile TiO\_ $\{$2$\}$(110) from first principles

Authors:
Elliott, S.D. | Bates, SP
Year of Publication:
2003

The novel use of NMR spectroscopy with in situ laser irradiation to study azo photoisomerisation

Authors:
Tait, K.M. | Parkinson, J.A. | Bates, SP | Ebenezer, W.J. | Jones, A.C.
Year of Publication:
2003

The nature of conformational preference in a number of p-alkyl phenols and p-alkyl benzenes

Authors:
Richardson, P.R. | Chapman, M.A. | Wilson, D.C. | Bates, SP | Jones, A.C.
Year of Publication:
2002

Full-coverage adsorption of water on SnO2 (1 1 0): the stabilisation of the molecular species

Authors:
Bates, SP
Year of Publication:
2002

Assigning the (1$\times$ 2) surface reconstruction on reduced rutile by first-principles energetics

Authors:
Elliott, S.D. | Bates, SP
Year of Publication:
2002

A first principles survey of stoichiometric (1$\times$ 2) reconstructions on the rutile surface

Authors:
Elliott, S.D. | Bates, SP
Year of Publication:
2001

Techniques for Gathering Student Views of their Experiences at University

Authors:
Hardy, J. | Haywood, D. | Haywood, J. | Bates, S. | Paterson, J. | Rhind, S. | Macleod, H.
Year of Publication:
2009

Taking the lead: learners’ experiences across the disciplines

Authors:
Bates, S. | Hardy, J. | Haywood, J. | Haywood, D. | McLeod, H. | Paterson, J. | Rhind, S.
Year of Publication:
2009

Research-teaching linkages: enhancing graduate attributes. Physical sciences

Authors:
Bates, S.
Year of Publication:
2008

Expectations and Reality: Exploring the use of learning technologies across the disciplines

Authors:
Hardy, J. | Haywood, D. | Bates, S. | Paterson, J. | Rhind, S. | Macleod, H. | Haywood, J.
Year of Publication:
2008

Tracking and Visualisation of Student Use of Online Learning Materials in a Large Undergraduate Course

Authors:
Hardy, J. | Bates, S. | Hill, J. | Antonioletti, M.
Year of Publication:
2008

How Design of Online Learning Materials can Accommodate the Heterogeneity in Student Abilities, Aptitudes and Aspirations

Authors:
Bates, S. | Hardy, J. | HILL, JON | McKain, D.
Year of Publication:
2007