Patricia Hunt Ph.D.  Hunt, Patricia Position Department /
Business Unit Department of Chemistry Institution Disciplines
Imperial College of Science, Technology and Medicine Chemistry
City State / Provence South Kensington London Country Website UK
link Theoretical and Computational Chemistry liquid systems +
ionic liquids + solvation + ions in solution  reactivity and
catalysis + Mg and Na as catalysts + acids and bases + measures
of chemical reactivity  + electron transfer mechanisms +
molecular switches + photochromic molecules + photoresponsive
materials + photo-excitation dynamics  Coding and theory
development o non-adiabatic effects o direct dynamics o
parameters for understanding chemical reactivity  Primary
methods used o standard ab-initio (B3LYP,MP2) o Car-Parrinello
dynamics  By this Researcher  Related Content