Associate ProfessorDeborah Crittenden
Director of the Biochemistry Programme
Julius von Haast 520
Phone: +6433695087
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
- 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. http://dx.doi.org/10.1039/d3cp00721a.
- 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) http://dx.doi.org/10.1002/asia.202201296.
- 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., 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. http://dx.doi.org/10.1107/S2053230X22011025.