Title Year of Publication
When simple systems do complex things Submitted
Keynote–Tailoring support for the net generation: an insight into students‟ real use and experience of using technologies Submitted
SGC4L Briefing Paper Submitted
Foreword XI Acknowledgements XII PL-1 One and Two-Dimensional Solid-Slate NMR Investigations of the Three-Diraensional Structures of Zeolite-Organic Sorbate Complexes Submitted
Faculty and students as collaborators, co-creators, and makers 2017
Faculty Perceptions of Challenges and Enablers of Effective Teaching in a Large Research-Intensive University: Preliminary Findings 2016
Plenary: Faculty and students as collaborators, co-creators and makers 2015
Assessing the quality of a student-generated question repository 2014
Scaffolding student engagement via online peer learning 2014
Fostering Learning Improvements in Physics 2014
What response rates are needed to make reliable inferences from student evaluations of teaching? 2014
Student-generated content: Enhancing learning through sharing multiple-choice questions 2014
The inverted classroom in a large enrolment introductory physics course : a case study. 2013
Fostering Learning Improvements in Physics (FLIP): A status report 2013
Different perspective, same challenges 2013
SGC4L Final Evaluation Report 2013
Gender differences in conceptual understanding of Newtonian mechanics: a UK cross-institution comparison 2013
Student-generated assessment 2013
The effect of research-based instruction in introductory physics on a common cognitive bias 2013
PeerWise: student-generated content for enhanced engagement and learning 2013
Gender differences in conceptual understanding of Newtonian mechanics: a UK cross-institution comparison 2012
Reshaping large-class undergraduate science courses: the weekly workshop 2012
The high-pressure electronic structure of the [Ni (ptdt) 2] organic molecular conductor 2012
A longitudinal study of the development of attitudes and beliefs towards physics 2012
The inverted classroom in a large enrolment introductory physics course: a case study. 2012
Student-Generated Content for Learning (SGC4L): Enhancing Engagement, Feedback and Performance 2012
Student-generated content: Using PeerWise to enhance engagement and outcomes in introductory physics courses 2012
How attitudes and beliefs about physics change from high school to faculty 2011
Student-generated content: using PeerWise to enhance engagement and outcomes in introductory physics courses 2011
The changes in attitudes and beliefs of first year physics undergraduates: A study using the CLASS survey. 2011
OPEN BUSINESS 2011
The changes in attitudes and beliefs of first year physics undergraduates: A study using the CLASS survey 2011
ATTITUDES TOWARDS SCIENCE STUDY: CLASS AT THE UNIVERSITY OF EDINBURGH 2010
Structure and bonding of aqueous glutamic acid from classical molecular dynamics simulations 2010
Closing the feedback loop for clicker questions 2010
Diagnostic tests for the physical sciences: A brief review 2010
First principles determination of structural, electronic and lattice dynamical properties of a model dipeptide molecular crystal 2009
Pressure-Induced Metallization of a Single-Component Molecular Crystal 2009
Peptide aggregation and solvent electrostriction in a simple zwitterionic dipeptide via molecular dynamics simulations 2009
ICT & the Student First Year Experience 2009
Techniques for Gathering Student Views of their Experiences at University 2009
Mapping the transition: Content and pedagogy across the school-university boundary 2009
Asking the right questions: Developing diagnostic tests in undergraduate physics 2009
Recent Issues 2008
Research-teaching linkages: enhancing graduate attributes. Physical sciences 2008
Expectations and Reality: Exploring the use of learning technologies across the disciplines 2008
Tracking and Visualisation of Student Use of Online Learning Materials in a Large Undergraduate Course 2008
How design of online learning materials can accommodate the heterogeneity in student abilities, aptitudes and aspirations 2008
Assessing the impact and potential of podcasts as pre-lectures 2007
How Design of Online Learning Materials can Accommodate the Heterogeneity in Student Abilities, Aptitudes and Aspirations 2007
Tracking and visualisation of student use of online learning materials in a large undergraduate course 2007
DUMP: A Database of Useful MCQs for Physics 2007
Collaborative Problem-Solving In First Year Physics 2007
Solution structure of the aqueous model peptide N-methylacetamide 2006
Structure and hydrogen bonding in neat N-methylacetamide: Classical molecular dynamics and Raman spectroscopy studies of a liquid of peptidic fragments 2006
Technical aspects of developing web-based Mathsaware assessment systems 2006
The modus operandi of the next generation e-learner; an analysis of tracking usage across the disciplines 2006
The use of electronic voting systems in large group lectures: challenges and opportunities 2006
Inhomogeneous, disordered, and partially ordered systems-Clustering and microimmiscibility in alcohol-water mixtures: Evidence from molecular-dynamics simulations 2005
Structure and dynamics of water in aqueous methanol 2005
Liquid NMA: A surprisingly realistic model for hydrogen bonding motifs in proteins 2005
Integrating e-learning and on campus teaching I: an overview 2005
Integrating e-learning and on-campus teaching II: evaluation of student use 2005
Adsorption and structure of hydrocarbons in MCM-41: a computational study 2005
Segregation in aqueous methanol enhanced by cooling and compression 2005
The Aqueous Environment: Lessons from Small Molecules 2005
Clustering and microimmiscibility in alcohol-water mixtures: Evidence from molecular-dynamics simulations 2005
Simulating the structure and reactivity of oxide surfaces from first principles 2004
Simulating the adsorption of binary and ternary mixtures of linear, branched, and cyclic alkanes in zeolites 2004
Methanol-water solutions: A bi-percolating liquid mixture 2004
Simulating the adsorption of linear, branched and cyclic alkanes in silicalite-1 and AlPO4-5 2004
A molecular orbital study of the conformational properties of tyramine and phenethylamine 2004
e-learner tracking: Tools for discovering learner behavior 2004
Comparison of experimental and calculated 1H NMR chemical shifts of geometric photoisomers of azo dyes 2003
Assignment of the (1$\times$ 2) surface of rutile TiO\_ $\{$2$\}$(110) from first principles 2003
The novel use of NMR spectroscopy with in situ laser irradiation to study azo photoisomerisation 2003
Assignment of the (1$\times$ 2) surface of rutile TiO 2 (110) from first principles 2003
The nature of conformational preference in a number of p-alkyl phenols and p-alkyl benzenes 2002
Full-coverage adsorption of water on SnO2 (1 1 0): the stabilisation of the molecular species 2002
Assigning the (1$\times$ 2) surface reconstruction on reduced rutile by first-principles energetics 2002
A first principles survey of stoichiometric (1$\times$ 2) reconstructions on the rutile surface 2001
Energetically accessible reconstructions along interstitial rows onthe rutile (110) surface 2001
Structure and properties of isolated liquid crystal molecules: jet spectroscopy and ab initio calculations of 4-cyanobiphenyl 2000
Risks of thrombophilia and diagnostics of pulmonary embolism 2000
Calculations of the electronic structure of substituted indoles and prediction of their oxidation potentials 2000
Abinitio study of single and double point adsorption of carbon monoxide on clusters representing zeolites 1999
The adsorption and dissociation of ROH molecules on TiO 2 (110) 1998
The molecular basis of zeolite catalysis: a review of theoretical simulations 1998
Molecular processes on oxide surfaces studied by first-principles calculations 1998
ChemInform Abstract: The Molecular Basis of Zeolite Catalysis: A Review of Theoretical Simulations 1998
The adsorption and dissociation of ROH molecules on TiO< sub> 2</sub>(110) 1998
ChemInform Abstract: Broensted Acidity in Zeolites 1998
Adsorption of methanol on TiO2 (110): A first-principles investigation 1998
ELSEVIER Surface Science 385 (1997) 403406 1997
A systematic study of the surface energetics and structure of TiO 2 (110) by first-principles calculations 1997
Intrinsic and enhanced broensted acidity in zeolites 1997
The chemical nature of atomic oxygen adsorbed on Rh (111) and Pt (111): A density functional study 1997
Broensted acidity in zeolites 1997
Configurational-Bias Monte Carlo (CB-MC) calculations of n-alkane sorption in zeolites RHO and FER 1997
A systematic study of the surface energetics and structure of TiO< sub> 2</sub>(110) by first-principles calculations 1997
Computational study of zeolitic-proton [ndash] palladium chemistry 1997
Ab initio simulation of molecular processes on oxide surfaces 1997
Location and conformation of n-alkanes in zeolites: an analysis of configurational-bias Monte Carlo calculations 1996
Energetics of n-alkanes in zeolites: a configurational-bias Monte Carlo investigation into pore size dependence 1996
Brønsted sites of enhanced acidity in zeolites: experimental modelling 1995
In Situ Modeling of the Enhanced Broensted Acidity in Zeolites 1995
Ab initio study of methanol sorption and proton transfer on a zeolite acid site model 1995
Broensted sites of enhanced acidity in zeolites: experimental modelling 1995
Team 1995
Improvements in ab initio calculated OH stretching frequencies of zeolite acid site models and other OH-containing molecules, using a Morse potential 1994
Ab initio study of methanol sorption and proton transfer on a zeolite acid site model 1994
Ab initio study of a Brønsted acid site model and complex with CO, with and without symmetry constraints 1994
Quantum Chemical Calculations of Zeolite Acid-site Models and Their Complexes with Bases 1994
Ab initio study of carbon monoxide adsorption on zeolites 1993
Taking the lead: learners’ experiences across the disciplines 2009
teaching linkages: enhancing graduate attributes. Physical sciences 2008
An Evaluation of an e-Learning Strategy: Watching the e-Learners Learn 2004
Interactive physics: a virtual library of simulations for use in physics undergraduate teaching 2003