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Ab initio computational studies were performed for CdSe nanocrystals over a wide range of sizes and topologies. Substantial relaxations and coordination of surface atoms were found to play a crucial role in determining the nanocrystal stability and optical properties. While optimally ͑threefold͒ coordinated surface atoms resulted in stable closed-shell(More)
Ab initio computational studies were performed for CdSe nanocrystals (NCs) over a wide variety of sizes ranging from 8 to 150 atoms in conjunction with recent experimental work. The density functional based calculations indicate substantial relaxations. Changes in coordination of surface atoms were found to play a crucial role in determining the NC(More)
Betulinic acid (BA), a novel natural product with antimelanoma activity, has poor aqueous solubility (<0.1 μg/mL) and therefore exhibits poor bioavailability. The purpose of this study was to explore the feasibility of preparing BA solid dispersions (BA-SDs) with hydrophilic polymers to enhance the aqueous solubility of BA. Melt-quenched solid dispersions(More)
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