Browsing Duke Faculty Articles by Subject "1st"

Now showing items 1-2 of 2

Control of the Orientational Order and Nonlinear Optical Response of the "Push-Pull" Chromophore RuPZn via Specific Incorporation into Densely Packed Monolayer Ensembles of an Amphiphilic Four-Helix Bundle Peptide: Characterization of the Peptide-Chromophore Complexes

Therien, Michael (AMER CHEMICAL SOC, 2010)

Push-pull chromophores based on extended pi-electron systems have been designed to exhibit exceptionally large molecular hyperpolarizabilities. We have engineered an amphiphilic four-helix bundle peptide to vectorially ...
Uncovering Compounds by Synergy of Cluster Expansion and High-Throughput Methods

Levy, Ohad; Curtarolo, Stefano (AMER CHEMICAL SOC, 2010)

Predicting from first-principles calculations whether mixed metallic elements phase-separate or form ordered structures is a major challenge of current materials research. It can be partially addressed in cases where ...