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Topic Area: Chemistry

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21. Comparison of independently calculated ab-initio normal-mode displacements for the three C-H stretching vibrations of methanol along the internal rotation path
Topic: Chemistry
Published: 3/19/2014
Authors: Li-Hong Xu, Ronald M. Lees, Jon Torger Hougen, Joel M. Bowman, Xinchuan Huang, Stuart Carter
Abstract: Comparison of graphical displays of normal-mode coefficients from recent quantum chemical projected-frequency calculations with analogous displays constructed after reexamination of results from more extensive higher-level calculations described earl ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=915278

22. A Methodology for Developing Authentication Assurance Level Taxonomy for Smart Card-based Identity Verification
Series: NIST Interagency/Internal Report (NISTIR)
Report Number: 7849
Topic: Chemistry
Published: 3/5/2014
Author: Ramaswamy Chandramouli
Abstract: Smart cards (smart identity tokens) are now being extensively deployed for identity verification for controlling access to Information Technology (IT) resources as well as physical resources. Depending upon the sensitivity of the resources and the ri ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=911836

23. Certification of Total Arsenic in Blood and Urine Standard Reference Materials by Radiochemical Neutron Activation Analysis and Inductively Coupled Plasma - Mass Spectrometry
Topic: Chemistry
Published: 3/1/2014
Authors: Rick L Paul, William C Davis, Karen E Murphy, Colleen E Bryan, Lee Lijian Yu, William F Guthrie, Dennis D Leber, Thomas W Vetter
Abstract: A newly developed procedure for determination of arsenic by radiochemical neutron activation analysis was used to measure arsenic in SRM 955c Toxic Elements in Caprine Blood and SRM 2668 Toxic Elements in Frozen Human Urine for the purpose of providi ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=909821

24. Effect of wire configuration and point defects on the conductance of gold nano-conductors
Topic: Chemistry
Published: 2/28/2014
Authors: Shmuel Barzilai, Francesca M Tavazza, Lyle E Levine
Abstract: Gold nanowire (NW) chains are considered a good candidate for nanoelectronics devices because they exhibit remarkable structural and electrical properties. One promising nano-conductor candidate is called ,Hexa1Š. This NW configuration was found to ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=913936

25. A four-pixel single-photon pulse-position array fabricated from WSi superconducting nanowire single- photon detectors
Topic: Chemistry
Published: 2/3/2014
Authors: Varun Boehm Verma, Robert Daniel Horansky, Francesco Marsili, Jeffrey Stern, Matthew Shaw, Adriana Eleni Lita, Richard P Mirin, Sae Woo Nam
Abstract: We demonstrate a scalable readout scheme for an infrared single-photon pulse-position camera consisting of WSi superconducting nanowire single-photon detectors. For an N {multiply} N array, only 2 {multiply} N wires are required to obtain the pos ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=914494

26. A comparison of literature models for the oxidation of normal heptane
Topic: Chemistry
Published: 2/1/2014
Authors: David A Sheen, Wing Tsang
Abstract: The development of detailed chemical kinetic models has proceeded unabated since the pioneering work of Dixon-Lewis and coworkers forty-five years ago. In that time, computational power has increased ten million-fold, and yet, we do not have a conse ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=912741

27. Quantitative X-Ray Powder Diffraction Analysis of Portland Cements: Proficiency Testing for Laboratory Assessment
Topic: Chemistry
Published: 2/1/2014
Author: Paul E Stutzman
Abstract: Quantitative x-ray powder diffraction analysis (QXRD) is being used within the cement industry for phase characterization of hydraulic cement. The current ASTM standard test method for powder diffraction analysis of cements provides guidance, but n ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=913621

28. Hybrid-Phospholipid Bilayer Coatings for Separations of Cationic Proteins in Capillary Zone Electrophoresis
Topic: Chemistry
Published: 1/20/2014
Authors: Elyssia S. Gallagher, Seid M Adem, Leonard K. Bright, Elisabeth Mansfield, Craig A. Aspinwall
Abstract: Separations of proteins and peptides in capillary zone electrophoresis suffer from non-specific adsorption of the analytes to the capillary surface. Semi-permanent phospholipid bilayers have been used to minimize adsorption, but must be regenerated ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=914121

29. Template synthesis of gold nanoparticles with an organic molecular cage
Topic: Chemistry
Published: 1/16/2014
Authors: Ryan McCaffrey, Hai Long, Yinghua Jin, Aric Warner Sanders, Wounjhang Park, Wei Zhang
Abstract: We report a novel strategy for the controlled synthesis of gold nanoparticles (AuNPs) with narrow size distribution (1.9 {plus or minus} 0.4 nm) through NP nucleation and growth inside the cavity of a well-defined three-dimensional, shape-persist ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=915368

30. Development of Standard Reference Materials for Cement-Based Materials
Topic: Chemistry
Published: 1/6/2014
Authors: Chiara F Ferraris, Nicos Martys, William L George
Abstract: Rotational rheometers are routinely used for homogeneous materials, but their usage for characterization of a granular fluid like concrete is a relatively new phenomenon. As measurements with rheometers can involve flow in a complex geometry, it is ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=914802



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