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Equivalence of dipole correction and Coulomb cutoff techniques in supercell calculations

Description: Article on the equivalence of dipole correction and Coulomb cutoff techniques in supercell calculations. In this work, the authors compare the dipole correction and Coulomb cutoff methods under the same conditions in the framework of plane-wave based density-functional theory.
Date: June 3, 2008
Creator: Yu, Liping; Ranjan, Vivek; Lu, W.; Bernholc, Jerry & Buongiorno Nardelli, Marco
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open access

Supplemental Material for Correlation of Human and Animal Air-to-Blood Partition Coefficients with a Single Linear Free Energy Relationship Model

Description: This document includes supplemental material to an article titled "Correlation of human and animal air-to-blood partition coefficients with a single linear free energy relationship model," published in QSAR & Combinatorial Science.
Date: July 25, 2008
Creator: Sprunger, Laura M.; Gibbs, Jennifer; Acree, William E. (William Eugene) & Abraham, M. H. (Michael H.)
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Renewal aging and linear response

Description: Paper discussing the linear response to an external perturbation of a renewal process, in an aging condition that, with no perturbation, would yield super-diffusion.
Date: February 6, 2008
Creator: Allegrini, Paolo; Ascolani, Gianluca; Bologna, Mauro & Grigolini, Paolo
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open access

Electric Field Enhanced Photoluminescence of CdTe Quantum Dots Encapsulated in Poly (N-Isopropylacrylamide) Nano-Spheres

Description: This article shows an electric field dependent collapse of the poly(N-isopropylacramide) nanospheres and employs the electric field dependence as a means to adjust the photoluminescence process of the quantum dots in a hybrid material.
Date: November 10, 2008
Creator: Garner, Brett W.; Cai, Tong; Hu, Zhibing & Neogi, Arup
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open access

The Reactivity Patterns of Low-Coordinate Iron-Hydride Complexes

Description: This article discusses the reactivity patterns of low-coordinate iron-hydride complexes. The authors report a survey of the reactivity of the first isolable iron-hydride complexes with a coordiination number less than 5.
Date: April 30, 2008
Creator: Yu, Ying; Sadique, Azwana R.; Smith, Jeremy M.; Dugan, Thomas R.; Cowley, Ryan E.; Brennessel, William W. et al.
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