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Research project

UK Physical Sciences Database Service National Research Facility

Staff

Lead researcher

Professor Simon Coles

Professor of Structural Chemistry

Research interests

  • Chemical Crystallography
  • Structures under change
  • Quantum Crystallography
Other researchers

Professor Jeremy Frey

Professor of Physical Chemistry

Collaborating research institutes, centres and groups

Characterisation and Analytics

Combing specialists from mass spectrometry, nuclear magnetic resonance spectroscopy and X-ray diffraction to create a world-class problem solving team.

Computational Systems Chemistry

Our research covers a broad range of domains from nanoscale materials properties, atmospheric chemistry, through to biological systems.

Research outputs

AI3SD Video: Data Analysis Case Study
Samuel Munday,
Samantha Kanza,
Nicola Knight,
Jeremy G. Frey,
& Victoria Hooper
, 2021
DOI: 10.5258/SOTON/P0126
Type: conference
Spectroscopic and theoretical investigation of color tuning in deep-red luminescent iridium(III) complexes
Thomas M. Stonelake,
Kaitlin A. Philips,
Haleema Y. Otaif,
Zachary C. Edwardson,
Peter Horton,
Simon J. Coles,
Joseph M. Beames,
& Simon J.A. Pope
, 2020 , Inorganic Chemistry , 59 (4) , 2266--2277
DOI: 10.1021/acs.inorgchem.9b02991
Type: article
AI3SD Video: Giving your Open Data the best chance to realise its potential
Christopher Gutteridge,
Samantha Kanza,
Jeremy G. Frey,
Victoria Hooper,
& Nicola Knight
, 2020
DOI: 10.5258/SOTON/P0065
Type: conference
AI3SD Video: Data Generation, Data Standards and Metadata Capture in Drug Discovery
Martin Immanuel-Bittner,
Samantha Kanza,
Jeremy G. Frey,
Victoria Hooper,
& Nicola Knight
, 2020
DOI: 10.5258/SOTON/P0064
Type: conference
Failed it to nailed it! Getting data sharing right: Event 1 report - dealing with data: tips and tricks
Samantha Kanza,
Nicola Knight,
Jeremy G. Frey,
& Victoria Hooper
, 2020
DOI: 10.5258/SOTON/P0032
Type: report