School of Life Sciences

Cox Lab

Theoretical and Computational Quantum Chemistry and Physics

Our research interests are focused in three main areas:

1. Fundamental quantum chemical physics: exploring the fundamental interactions in three-body Coulomb systems. 

2. Computation chemistry research: involving extensive collaboration with experimental chemists.  We use a variety of techniques including density functional theory (DFT and TDDFT) and ab initio methods.

3. Theoretical chemistry research: highlighting and addressing successes and limitations in theoretical methods.

 

Recent Research Project Titles of the Cox group

MChem Research Students

Current (working titles)

Kylie Okoro (2016-) Pd(OAc)2-Catalysed Functionalisation of Benzodiazepines

Completed

Rob Ziolek (2016) Spin state effects on electron correlation

Luke Rhodes (2015)  Electron Correlation in two electron atoms and ions

James Mattock (2014) The UV/Vis of uranium complexes

Patrick Herlihy (2014) The stability bound for unit charge three-body systems

Emma Coakley (2014) The ground and excited states of organolead complexes

Frank Longford (2013) The Stability of 3-Body Coulomb Potential Systems    

Kieran Fox (2013) Forming a Global Potential Energy Surface for H3+ with a view to expanding it to Hn+ clusters           

Helen Kimber (2012) Does the 2A1 transition of [Mg(Py)]+ have double excitation character?

Gavin Roffe (2012) The gas-phase activation of methane by co-ordinately unsaturated metal dication complexes

PhD Research Students

Current (working titles)

Msugh Targema (2015-) Theoretical/Computational investigation of the structure, reactivity and spectroscopy of inorganic complexes

Adam Baskerville (2014-) The stability of Coulomb three-body systems

Sarote (Pop) Boonseng (2013-) Computational Study of the reactivity of palladacycles in catalytic applications.

Completed

Dr Gavin Roffe (2016) Joint supervision with Dr J. Spencer. Thesis entitled "The synthesis, catalytic investigation, and theoretical rationalisation of unsymmetrical pincer palladacycles"

Dr Andrew King (2015) Thesis entitled "The Stability of Small Atoms and Molecules : A Quantum Mechanical Three-Body Study"

Dr Jens Ryden (2010) Joint supervision with Prof M. Heggie. Thesis entitled "Theoretical studies of Mn in the gas-phase and in the solid state"

Dr Caroline Norris (2009) Thesis entitled "The structure, reactivity and spectroscopy of selected transition metal complexes" 

Dr Ricardo Esplugas (2009) Thesis entitled "Density functional theory and time-dependent density functional theory studies of copper and silver cation complexes"

Dr Georgina Aitken (2008) Thesis entitled "Gas phase multiply charged metal-ligand complexes"

Contact

Dr Hazel Cox

Senior Lecturer in Chemistry

University of Sussex
Chichester Building
Falmer
Brighton, BN1 9QJ

E h.cox@sussex.ac.uk
T +44 1273 678972

Dr Hazel Cox's profile

Chemistry homepage

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