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Experts in 'quantum chemistry'

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  Professor Neil Allan
Post(s): Professor of Physical Chemistry, School of Chemistry
Areas of expertise: We use advanced simulation and modelling techniques to understand the properties of solids and surfaces at the atomic level....
Keywords: solids | surfaces | properties at the atomic level | atomistic simulation | quantum chemistry | inorganic materials | non-metallic solids
  Professor Richard Dixon
Post(s): Emeritus Professor in Chemistry, School of Chemistry
Senior Research Fellow in Chemistry, School of Chemistry
Areas of expertise: My research involves the development and application of optical spectroscopy to Chemistry, and in particular the quantitative,...
Keywords: optical spectroscopy | complex molecular dynamics | laser based techniques | quantum chemistry | time-dependent quantum theory | photodissociation dynamics | polyatomic radicals | atmospheric/combustion chemistry
  Dr Natalie Fey
Post(s): Lecturer in Chemistry, School of Chemistry
Areas of expertise: Transition metal complexes catalyse many reactions important in synthetic organic and organometallic chemistry. However,...
Keywords: transition metal complexes | organometallic chemistry | synthetic organic chemistry | catalytic reactions | catalysts | synthetically relevant organometallic chemistry | quantum chemistry
  Professor Fred Manby
Post(s): Professor of Theoretical Chemistry, School of Chemistry
Areas of expertise: Research in the Manby group is focused on the development of new methods in electronic structure theory and quantum chemistry....
Keywords: electronic structure theory | quantum chemistry | Ornstein-Zernike equation | electronic structure theory | electron correlation problem in solids | liquids | electron correlation