ProfessorDeborah Crittenden

Discovering novel redox-active molecular scaffolds via high-throughput computational screening

Redox-active ionic liquids for high energy density redox-flow batteries

Ionic liquids for renewable energy applications

Computational design and synthesis of redox-active battery electrolytes

Synthesis of redox-active ionic liquids for high-capacity redox-flow batteries

Derivatising and solubilising redox-active organic compounds by sulfonation

Investigating the molecular structure of sulfur black dye and its derivatives

The double-half H2 model for assessing the accuracy of quantum chemical methods

Synthesis and electrochemical characterisation of novel redox-active ionic liquids

Redox-active ionic liquids for new high energy density batteries

How accurately can computational models predict NMR spectra?

Energetics and stereoselectivity of enzyme-catalysed condensation of pyruvate with L-aspartate-4-semialdehyde

Simple, accurate, adjustable-parameter-free prediction of NMR shifts for molecules in solution

Peptide aptamers for high-sensitivity, high-specificity phosphate detection

Ionogels and hydrogels as low-cost ion-permeable membranes for redox-flow batteries

Synthesis and electrochemical characterisation of ionic liquid viologens

Reinvigorating and extending the scope of obscure reactions using computational quantum chemistry

Ionic Liquid Viologens as Metal-free Battery Electrolytes

Thermostable purine nucleoside phosphorylases as biocatalysts for antiviral development

Computational design of selective kinase inhibitors based on a quinine scaffold

Investigating the utility of purine nucleoside phosphorylase as a biosynthetic tool for making libraries of antiretroviral drugs

Molecular dynamics simulations of proteins

Supported metal clusters and nanoparticles for CO2 hydrogenation to value-added hydrocarbons

Computational identification of new drug-like molecules

Design and 3D printing of flow cells for redox-flow batteries & testing battery chemistries