Deborah Crittenden

Associate ProfessorDeborah Crittenden

Director of the Biochemistry Programme
Beatrice Tinsley 326
Internal Phone: 95087

Qualifications

Research Interests

My research interests lie in:
- the development and application of new theoretical methods and algorithms for modelling quantum properties of molecules and materials, such as molecular structure, dynamics, photochemistry, redox potentials, and reactivity.
- the application of quantum chemical methods to design new molecules and materials for renewable energy capture and storage.

Recent Publications

  • Crittenden DL. (2022) A new double-reference correction scheme for accurate and efficient computation of NMR chemical shieldings. Physical Chemistry Chemical Physics 99 http://dx.doi.org/10.1039/d2cp03992c.
  • Curnow OJ. and Crittenden DL. (2022) Structures and Spectra of Halide Hydrate Clusters in the Solid State: A Link between the Gas Phase and Solution State. ChemPlusChem 87(2) http://dx.doi.org/10.1002/cplu.202100535.
  • Given FM., Moran F., Johns AS., Titterington JA., Allison TM., Crittenden DL. and Johnston JM. (2022) The structure of His-tagged Geobacillus stearothermophilus purine nucleoside phosphorylase reveals a `spanner in the works'. Acta crystallographica. Section F, Structural biology communications 78: 416-422. http://dx.doi.org/10.1107/S2053230X22011025.
  • Given FM., Stanborough T., Waterland MR. and Crittenden DL. (2022) DeltaPCA: A statistically robust method for analysing surface-enhanced Raman spectra for quantitative analyte detection. Vibrational Spectroscopy 121 http://dx.doi.org/10.1016/j.vibspec.2022.103389.
  • Medel R., Springborn JR., Crittenden DL. and Suhm MA. (2022) Hydrogen delocalization in an asymmetric biomolecule: The curious case of alpha-fenchol. Molecules 27(1) http://dx.doi.org/10.3390/molecules27010101.