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Ab initio Calculations and RRKM/Master Equation Modeling of Chloroalkanes ? Alkenes + HCl Reactions for Use in Comparative Rate Studies

November 23, 2011

Author(s)

Donald R. Burgess Jr., Jeffrey A. Manion

The computations reported in this paper were done in conjunction with an experimental study involving single pulse shock tube measurements of the thermal decomposition of three chloroalkanes, and that work is reported in an accompanying preceding paper

Standard Reactions for Comparative Rate Studies: Experiments on the Dehydrochlorination Reactions of 2 Chloropropane, Chlorocyclopentane and Chlorocyclohexane

November 23, 2011

Author(s)

Iftikhar A. Awan, Donald R. Burgess Jr., Wing Tsang, Jeffrey A. Manion

Single pulse shock tube studies of the thermal dehydrochlorination reactions (chlorocyclopentane → cyclopentene + HCl) and (chlorocyclohexane → cyclohexene + HCl) at temperatures of 843 to 1021 K and pressures of 1.4 to 2.4 bar have been carried out using

Density functional theory study of the gamma-MnOOH (010) surface: Response to oxygen and water partial pressures

November 15, 2011

Author(s)

Gloria A. Oxford, Anne M. Chaka

Ab initio thermodynamics was combined with density functional theory calculations to identify stable gamma- MnOOH (010) surface terminations in response to varying oxygen and water partial pressures. Within the range of accessible oxygen chemical

Synthesis of Multifunctional Polymer Brushes via Sequential and Orthogonal Thiol-Click Reactions

November 14, 2011

Author(s)

Santosh B. Rahane, Ryan M. Hensarling, Bradley J. Sparks, Christopher Stafford, Derek L. Patton

Fabrication of multifunctional surfaces with complexity approaching that found in nature requires the application of a modular approach to surface engineering. We describe a versatile post-polymerization modification strategy to synthesize multifunctional

Interlaboratory Analytical Comparison Study to Support Deepwater Horizon Natural Resource Damage Assessment: Description and Results for Marine Sediment QA10SED01

November 2, 2011

Author(s)

Michele M. Schantz, John Kucklick

To support natural resource damage assessment (NRDA) in response to the Deep Water Horizon (DWH) oil spill in the Gulf of Mexico, a large number of coastal sediment and tissue samples (i.e., oysters) have been collected to define baseline environmental

Findings and Recommendations from the Joint NIST  AGA Workshop on Odor Masking

November 1, 2011

Author(s)

Thomas J. Bruno, Nancy Rawson, Ali Quaraishi

Since the days of the alchemist, the observation that some substances have a smell while other substances do not has been a source of fascination. The sense of smell, or olfaction, is our least understood sense, however it is important for many human

Linkage Disequilibrium Analysis of D12S391 and vWA in U.S. Population and Paternity Samples

November 1, 2011

Author(s)

Kristen E. Lewis, Carolyn R. Steffen, Peter Vallone, John M. Butler

Recently, the European Network of Forensic Science Institutes voted to adopt five additional STR loci (D12S391, D1S1656, D2S441, D10S1248, and D22S1045) to their existing European Standard Set of seven STRs (TH01, vWA, FGA, D8S1179, D18S51, D21S11, and

Determination of Moisture Content of Single-Wall Carbon Nanotubes

October 17, 2011

Author(s)

Rolf L. Zeisler, Rabia Oflaz, Ralph E. Sturgeon, Rick L. Paul, Brian E. Lang, Jeffrey A. Fagan, Joseph W. Lam, Anthony Windust, P Grinberg, Benoit Simard, Christopher T. Kingston

Several techniques were evaluated for the establishment of reliable water/moisture content of single-wall carbon nanotubes. Karl Fischer titration (KF) provides for a direct measure of the water content and was used for benchmarking against results

Radiation-Induced Synthesis of Poly(vinylpyrrolidone) Nanogel

October 14, 2011

Author(s)

Jung-Chul An, Alia Weaver, Byungnam Kim, Aaron Barkatt, Dianne L. Poster, Wyatt N. Vreeland, Joseph Silverman, Mohamad Al-Sheikhly

Studies of the radiation-induced synthesis of poly(vinylpyrrolidone) (PVP) nanogels, intended to provide a basis for obtaining intra-molecular cross-linked products, which are more useful in drug delivery, show that a sharp change in the controlling

Chromatographic Sample Collection from Two Phase (gas + liquid) Flows

October 12, 2011

Author(s)

Thomas J. Bruno, Bret Windom

A particularly challenging sample presentation in analytical chemistry is a flowing stream that consists of both a gas and liquid phase, in the situation in which an analysis is needed for both phases, separately. In these cases, the vapor and liquid must

Assessment of the Composition and Distillation Properties of Thermally Stressed RP-1 and RP-2: Application to Fuel Regenerative Cooling

September 28, 2011

Author(s)

Bret Windom, Thomas J. Bruno

In this work, we measured the volatility of thermally stressed samples of RP-1 and RP-2 rocket kerosenes by use of the advanced distillation curve method. This work is part of a large program at NIST and other laboratories geared toward improving the

Extending Reversed-Flow Chromatographic Methods for the Measurement of Diffusion Coefficients to Higher Temperatures

September 19, 2011

Author(s)

William S. McGivern, Jeffrey A. Manion

A reversed-flow chromatographic apparatus for the measurement of binary diffusion coefficients is described and utilized to measure the binary diffusion coefficients for several systems at temperatures from (300723) K. Hydrocarbons are detected using

Reaction Mechanism Governing the Formation of 1,3-bis(diphenylphosphino)propane-protected Gold Nanoclusters

September 19, 2011

Author(s)

Jeffrey W. Hudgens, John M. Pettibone, Thomas P. Senftle, Ryan N. Bratton

This report outlines the determination of a reaction mechanism that can be manipulated to develop directed syntheses of gold monolayer protected clusters (MPCs) prepared by the reduction of solutions containing 1,3-bis(diphenylphosphino)propane (L 3)

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