Date of Award
Doctor of Philosophy
Mark S. Gordon
The intermolecular interactions, including charge transfer, dispersion, exchange repulsion, are studied in-depth in the framework of the general effective fragment potential method, which is a discrete model potential method. The solvated electron is studied using a renormalized coupled-cluster approach in the cluster-in-molecule framework. The explicit core electron correlation is recognized to play a key role in describing the binding of silane with three different boron-containing compounds.
Xu, Peng, "The odd power of dispersion" (2014). Graduate Theses and Dissertations. 13650.