Rob Deeth

Prof

  • WESSEX HOUSE 1.19

20182018
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Personal profile

Research interests

Development and application of computational chemistry to systems containing transition metal centres

Methods

Ligand field molecular mechanics using the Molecular Operating Environment.

Applications

  • Metal-organic frameworks
  • Spin crossover complexes
  • Metal-protein interactions

Education/Academic qualification

Chemistry, Doctor of Philosophy, University of Cambridge

4 Oct 198230 Sep 1985

Chemistry, Bachelor of Science, University of Tasmania

1 Mar 197830 Nov 1981

External positions

Emeritus Professor, University of Warwick

4 Oct 2015 → …

Keywords

  • QD Chemistry
  • Transition metal
  • computational chemistry

Fingerprint Fingerprint is based on mining the text of the person's scientific documents to create an index of weighted terms, which defines the key subjects of each individual researcher.

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Molecular mechanics Chemical Compounds
Metals Chemical Compounds
Ligands Chemical Compounds
Ethane Chemical Compounds
Coordination Complexes Chemical Compounds
Jahn-Teller effect Chemical Compounds
pyridine Chemical Compounds
Electron energy levels Chemical Compounds

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Projects 2018 2018

RSC QBIC-IV

Deeth, R. & Krewald, V.

1/03/1831/10/18

Project: UK charity

Research Output 2018 2018

Molecular mechanics
Metals
Ligands
Jahn-Teller effect
pyridine

Spin Crossover in a Hexaamineiron(II) Complex: Experimental Confirmation of a Computational Prediction

Bernhardt, P. V., Bilyj, J. K., Brosius, V., Chernyshov, D., Deeth, R. J., Foscato, M., Jensen, V. R., Mertes, N., Riley, M. J. & Törnroos, K. W. 29 Jan 2018 In : Chemistry - A European Journal.

Research output: Contribution to journalArticle

Ground state
Temperature
Crystal structure
Single crystals
Ethane