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Journals

Density Functional Theory Study of the Clean and Hydrated Hematite (1 102) Surfaces

October 16, 2008

Author(s)

Cynthia S. Lo, Kunaljeet Tanwar, Anne M. Chaka, Thomas P. Trainor

The structures of the clean and hydrated hematite alpha-Fe2O3 (1-102) surfaces were investigated using density functional theory, and the free energies of the...

Optical Properties of Amphibole Asbestos

October 16, 2008

Author(s)

Jennifer R. Verkouteren, A G. Wylie

The fibrillar growth habit and 100} twinning may produce anomalous optical properties in fibrous amphiboles. The optical properties of 16 fibrous tremolite...

Differences Between Propane in Nitrogen Versus Air Matrix Analyzed Using Gas Chromatography With Flame Ionization Detection.

October 16, 2008

Author(s)

George C. Rhoderick

New U.S. Federal low-level automobile emission requirements, such as Zero Level Emission Vehicle (ZLEV), for hydrocarbons and other species have resulted in the...

Beam Tilt, Defocus, and Vibration Contribute to HRTEM Gate Dielectric Thickness Measurement Uncertainty

October 16, 2008

Author(s)

David S. Bright, Jake H. Scott

Using statistical design-of-experiment (DEX) methods, beam tilt, defocus, and vibration of the microscope were determined to have large effects on the absolute...

Trace Explosive Detection Standards Using Drop-on-Demand Inkjet Printing Technology

October 16, 2008

Author(s)

Eric S. Windsor, Bruce A. Benner Jr., Robert A. Fletcher, J Greg Gillen, R Lareau, Inho Cho, Mike Boldmand

A piezoelectric drop-on-demand inkjet printer system has been used to prepare prototype trace explosive calibration materials to aid in the performance...

The New X-Ray Mapping: X-Ray Spectrum Imaging Above 100 kHz Output Count Rate With the Silicon Drift Detector

October 16, 2008

Author(s)

Dale E. Newbury

Electron-excited x-ray mapping is a key operational mode of the scanning electron microscope (SEM) equipped with energy dispersive x-ray spectrometry (EDS). The...

Distinguishability of N Composition Profiles in SiON Films on Si by Angle-Resolved X-Ray Photoelectron Spectroscopy

October 16, 2008

Author(s)

Cedric J. Powell, W S. Werner, W Smekal

We report photoelectron intensities of N 1s and O 1s peaks at selected emission angles for an SiON film on Si with different assumed amounts and distributions...

Radiocarbon Measurement of the Biogenic Contribution to Summertime PM-2.5 Ambient Aersol in Nashville TN.

October 16, 2008

Author(s)

George A. Klouda, C. W. Lewis, W D. Ellenson

Radiocarbon measurements performed on PM-2.5 samples collected near Nashville TN from June 21 to July 13, 1999, showed high levels of modern carbon, ranging...

Environmental Sources, Occurrence, and Effects of Synthetic Musk Fragrances

October 16, 2008

Author(s)

Aaron Peck, Keri C. Hornbuckle

Synthetic musk fragrances are found in virtually every environmental compartment. They are a clear indicator of human impact in natural systems. In air, their...

On-line Isotope Dilution Determination of Mercury Species by Solid-Phase Microextraction GC-ICPMS

October 16, 2008

Author(s)

William Davis, Steven J. Christopher, Stephen E. Long, William R. Kelly

This preliminary technical note reports on the development of an on-line isotope dilution (ID) method that is applicable for the determination of inorganic and...

High-Energy Components of Designer Gasoline and Designer Diesel Fuel I. Heat Capacaties, Enthalpy Increments, Vapor Pressures, Critical Properties, and Derived Thermodynamic Functions for Bicyclopentyl Between the Temperatures 10 K and 600 K.

October 16, 2008

Author(s)

Robert D. Chirico

Measurements leading to the calculation of the standard thermodynamic properties for gaseous bicyclopentyl (Chemical Abstracts registry number [1636-39-1] are...

Determination of 19-Norandrosterone in CCQM-P68. NIST Results Using an Isotope Dilution Liquid Chromatography/Tandem Mass Spectrometry Method

October 16, 2008

Author(s)

Susan Tai, Bei Xu, Michael J. Welch

The U.S. National Institute of Standards and Technology (NIST) participated in an international interlaboratory study under the auspices of the Consultative...

The Viscosity and Speed of Sound of Gaseous Nitrous Oxide and Nitrogen Trifluoride Measured with a Greenspan Viscometer

October 16, 2008

Author(s)

John J. Hurly

The viscosity and speed of sound of gaseous nitrous oxide and nitrogen trifluoridewere measured using a Greenspan acoustic viscometer. The data span the...

Characterization of Ultrathin Silicon-Oxynitride Films Using Grazing Incidence X-Ray

October 16, 2008

Author(s)

E Landree, Terrence J. Jach

This work describes the use of Grazing Incidence X-ray Photoemission Spectroscopy (GIXPS) to characterize the thickness of a silicon oxynitride ultrathin film...

Critical Region

October 16, 2008

Author(s)

Jan V. Sengers, M A. Anisimov

The chapter reviews the current state of the art of describing the thermodynamic behavior of fluids and fluid mixtures. It elucidates the difference between...

Vapor-Liquid Equilibrium, Coexistence Curve, and Critical Locus for Pentafluoroethane +1,1,1,2-Terafluoroethane (R-125+R-134a)

October 16, 2008

Author(s)

Yukihiru Higashi

The vapor-liquid equilibrium for pentafluoroethane +1,1,1,2-tetrafluoroethane (R-125 +R-134a) was measured by the static method in the temperature range between...

A Cross-Referencing Web Resource of Pre-Clinical Data for AIDS

October 16, 2008

Author(s)

Talapady N. Bhat, Anh D. Nguyen, G Noble, L Cooney, M Nasr, A Wlodawer, K Das

Structure-based drug discovery relies on efficient compilation and analysis of chemical, biological, pre-clinical and structural data. Factors such as...

How Well Do DFT and MP2 Treat Intramolecular Hydrogen Bonding in Protonated Amino Acids?

October 16, 2008

Author(s)

John K. Merle, Karl K. Irikura

We have re-examined the amine-N to carbonyl-O proton transfer of protonated glycine using high-level coupled-cluster methods to resolve a discrepancy involving...

Towards Understanding the Impact of Water on the Glycosidic Linkage Flexibility of Methyl-[dot]-Mannose

October 16, 2008

Author(s)

Orkid Coskuner

The stability of the glycosidic linkage of methyl-?-mannose was studied in the gas phase and in aqueous solution by ab initio calculations, and by molecular...

Structural Phases and Phase Transitions of Alkanethiol Monolayers on Au (111)

October 16, 2008

Author(s)

G Poirier

Using ultrahigh vacuum scanning tunneling microscopy, we have characterized assembly of decanethiol monolayers on Au(111). Our results show that the monolayer...

Fluid Properties Simulation Challenge Recommendations for Problem II (d): Diethanol Amine Density

October 16, 2008

Author(s)

L. A. Watts

Recommendations are given for Problem 11(d): diethanol amine density at problen-conditions: (1) 0.1 MPa, 330 K and (2) 5 MPa, 400 K. The recommended values and...

Quantitative Electron Probe Microanalysis: Fifty Years of Developments in the Application of Castaing's Z and A Corrections

October 16, 2008

Author(s)

J T. Armstrong

The corrections for atomic number and absorption effects in electron microprobe analysis proposed by Castaing in his Ph.D. thesis have been adapted and re...

In-Situ Ellipsometric Study of the Competitive Adsorption of PEG-/CI-/(SPS/MPS) on Cu

October 16, 2008

Author(s)

Marlon L. Walker, Lee J. Richter, Thomas P. Moffat

The adsorption of Cu electrodeposition accelerating agents SPS and MPS on evaporated Cu thin films was examined in-situ using spectroscopic ellipsometry under...

The 2.1- Crystal Structure of Haemophilus Influenzae HI1715, an Oligoribonuclease

October 16, 2008

Author(s)

G L. Gilliland

The degradation of all classes of cellular RNA is critical for biological function. The enzymes that carry out this function in all organisms are either exo- or...

Material Standards and Reference Materials for Disease Biomarkers: Needs Assessment and Development

October 16, 2008

Author(s)

Peter E. Barker

No Abstract

Analyses of QC Materials for Huntington s Disease Genetic Testing

October 16, 2008

Author(s)

J P. Jakupciak, Kristy L. Richie

The expansion of molecular testing using nucleic acid technologies in clinical and public health practice has increased the need for appropriate reference...

Ultra-Sensitive Surface Spectroscopy of Silica with a Miniature Optical Resonator

October 16, 2008

Author(s)

A C. Pipino

The surface properties of silica are of great importance in many areas of technology including microelectronics, chemical separations, catalysis, and biosensing...

A Systematically-Generated, Pressure-Dependent Mechanism for High-Conversion Ethane Pyrolysis. Part II: Radical Disproportionations, Missing Reaction Families, and the Consequences of Pressure-Dependence

October 16, 2008

Author(s)

D M. Matheu, J M. Grenda

Part I of this work systematically developed a pressure-dependent reaction mechanism for the high-conversion pyrolysis of ethane [1], as studied experimentally...

Theoretical Analysis of the Metal Substitution and Water Structure in the Active Site of Phosphotriesterase

October 16, 2008

Author(s)

Morris Krauss, L Olsen, J Antony, L Hemmingsen

Theoretical examination of the cadmium substitution in the native zinc phosphotriesterase provides insight into the coordination binding and emphasizes the...

Fluid Properties Simulation Challenge. recommendations for Problem II (g): Pyridine Density

October 16, 2008

Author(s)

Robert D. Chirico

Recommendations are given for Problem 11(g): pyridine density at problem conditions: (1) 0. I MPa, 298 K and (2) 1 0 MPa, 375 K. The recommended valuesand their...

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