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

  • 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., 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.
  • Wonanke ADD. and Crittenden DL. (2022) Prediction of anharmonic, condensed-phase IR spectra using a composite approach: Discrete encapsulated chloride hydrates. Journal of Molecular Spectroscopy 387 http://dx.doi.org/10.1016/j.jms.2022.111660.
  • Curnow OJ. and Crittenden DL. (2021) Are "bright-state" models appropriate for analyzing fermi-coupled bands in molecular vibrational spectra? Journal of Physical Chemistry A 125(6): 1355-1358. http://dx.doi.org/10.1021/acs.jpca.0c10404.