Deborah Crittenden

Associate ProfessorDeborah Crittenden

Director of the Biochemistry Programme
Julius von Haast 520
Internal Phone: 95087


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

  • Hoyt EM., Smith LO. and Crittenden DL. (2023) Simple, accurate, adjustable-parameter-free prediction of NMR shifts for molecules in solution. Physical Chemistry Chemical Physics 25(14): 9952-9957.
  • Smith LO. and Crittenden DL. (2023) Acid-Base Chemistry Provides a Simple and Cost-Effective Route to New Redox-Active Ionic Liquids. Chemistry - An Asian Journal 18(5)
  • Crittenden DL. (2022) A new double-reference correction scheme for accurate and efficient computation of NMR chemical shieldings. Physical Chemistry Chemical Physics 99
  • 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)
  • Given FM., Moran F., Johns AS., Titterington JA., Allison TM., Crittenden DL., Johnston JM. and Tsai FT. (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.