Welcome to the Cox group
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.
Post Docs:
Dr Adam baskerville (2018-) Fundamental studies of electron correlation with applications to Density Functional Theory (DFT)PhD Students:
Msugh Targema (2015-) Theoretical/Computational investigation of the structure, reactivity and spectroscopy of inorganic complexes- PhD completed
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Dr Adam Baskerville (2018) The quantum chemical physics of few-particle atoms and molecules.
Dr Sarote (Pop) Boonseng (2017) Computational Study of the reactivity of palladacycles in catalytic applications.
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"
MChem Research Students:
- MChem completed
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Jack Fulker (2019) Relativistic Corrections to Heliogenic Systems with the Inclusion of Nuclear Motion
Hanna Masanjika (2019) Electron correlation of two-electron systems with nuclear charges ranging from Z = 0.9 to Z = 6Abigail Guy (2018) Dimensional Dependence of Correlation Energies in Two-Electron Atoms
Ryan Hinton (2018) Triplet states of three-particle atoms and ions
Kylie Okoro (2017) Pd(OAc)2-Catalysed Functionalisation of BenzodiazepinesRob 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
