Browsing Chemistry (Theses and Dissertations) by Author "Steel, Michelle C."
Now showing items 1-1 of 1
-
Explorations in solvaton models of solvation within a quantum chemical framework
Steel, Michelle C. (Trinity College (Dublin, Ireland). School of Chemistry, 2000)The purpose of this thesis is to investigate the potential of developing a tractable model for solvation of large systems within a quantum chemical framework. Candidate computational methods are reviewed ranging from ab ...