Many existing partial differential equation solver packages focus on the important, but arcane, task of numerically solving the linearized set of algebraic equations that result from discretizing a set of PDEs. Many researchers, however, need something higher level than that.
Superconformal electrodeposition of copper is explained by the recently developed curvature-enhanced-accelerator coverage (CEAC) model, which is based on the assumptions that 1) the local growth velocity is proportional to the surface coverage of the accelerator, or catalyst, and 2) the catalyst remains segregated at the metal/electrolyte interface during… (More)
The electronic structures of the three oxidation states of the " noninnocent " ligand 3,6-di-tert-butylorthoquinone (3,6-DTBQ) have been studied by nonlocal gradient-corrected density functional theory. Optimized structures obtained at the B3LYP/6-31G* and BLYP/6-31G* levels show that neutral 3,6-DTBQ has two equivalent CO double bonds and a nonaromatic… (More)
Real world projects are imminent part of an effective capstone software engineering course. As capstone projects grow larger and more sophisticated, software engineering practices to control the complexity are needed. Involving students in real world projects is a great way to teach valuable software engineering skills. In this paper we present our… (More)
Bimolecular quenching between photosensitizers and exchange-coupled transition metal complexes has been studied in an effort to experimentally establish a link between Heisenberg spin exchange and chemical reactivity. The acceptors are members of the oxo/hydroxo-biscarboxylato class of dinuclear Fe(III) compounds, where protonation of the oxo bridge… (More)