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81. To Predict Vibrational Spectra, Are Anharmonic Calculations Worthwhile?
Topic: Chemistry
Published: 1/22/2013
Authors: Ruth Lafuente Jacobsen, Karl K Irikura, Russell D Johnson III, Raghu N Kacker
Abstract: Anharmonic calculations using vibrational perturbation theory are known to provide near-spectroscopic accuracy when combined with high-level ab initio potential energy functions. However, performance with economical, popular electronic structure meth ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=911024

82. ELUCIDATING THE SURFACE COMPOSITION OF MECHANICALLY MODULATED COLLAGEN FIBRIL FILMS WITH TOF-SIMS
Topic: Chemistry
Published: 1/17/2013
Authors: Christopher R Anderton, Kiran Bhadriraju, Frank W DelRio, Anne L Plant
Abstract: The extracellular matrix (ECM) environment plays a critical role in organism development and disease. Consequently, developing complementary analytical techniques to study bioactive scaffolds can assist in understanding cell-ECM processes. We have ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=910931

83. Weathering Patterns of Ignitable Liquids with the Advanced Distillation Curve Method
Series: Journal of Research (NIST JRES)
Report Number: 118.003
Topic: Chemistry
Published: 1/17/2013
Authors: Samuel Allen, Thomas J Bruno
Abstract: One can take advantage of the striking similarity of ignitable liquid vaporization (or weathering) patterns and the separation observed during distillation to predict the composition of residual compounds in fire debris. This is done with the ad ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=907398

84. Gallium Nitride Nanowires for On-Chip Optical Interconnects on Ex-Situ Substrates
Topic: Chemistry
Published: 1/16/2013
Authors: Matthew David Brubaker, Paul Timothy Blanchard, John B Schlager, Aric Warner Sanders, Alexana Roshko, Shannon Marie Madison Duff, Jason Gray, Victor M. Bright, Norman A Sanford, Kristine A Bertness
Abstract: In this letter we report on the fabrication, device characteristics, and optical coupling of a two-nanowire device comprising light-emitting diode and photoconductive GaN nanowires. Axial p-n junction GaN nanowires were grown by molecular beam epita ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=912280

85. Identifying improved standardized tests for measuring cement particle size and surface area
Topic: Chemistry
Published: 1/14/2013
Authors: Chiara F Ferraris, Edward Joseph Garboczi
Abstract: The Blaine fineness (Blaine) of a cement powder is a single parameter that is meant to characterize the specific surface area of a cement, and is assumed to be linked to physical and mechanical properties such as strength, setting time, and rheology. ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=911893

86. Selective Streptavidin Bioconjugation on Si and SiC nanowires for Biosensor Applications.
Topic: Chemistry
Published: 1/14/2013
Authors: Elissa Heather Williams, John A. Schreifels, Mulpuri V. Rao, Albert Davydov, Vladimir Pavlovich Oleshko, Nancy J Lin, Kristen L Steffens, Sergiy Krylyuk, Kristine A Bertness, Amy Manocchi, Yaroslav Koshka
Abstract: A functionalization method for the specific and selective immobilization of the streptavidin (SA) protein on semiconductor nanowires (NWs) was developed. Silicon (Si) and silicon carbide (SiC) NWs were functionalized with 3-aminopropyltriethoxysilane ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=911944

87. Protective performance of environmentally stressed fabrics containing melamine fiber blends
Topic: Chemistry
Published: 1/12/2013
Authors: Shonali Nazare, Shaun M. Flynn, Rick D Davis, Joannie W Chin
Abstract: In this study, environmentally stressed OS fabrics containing melamine fiber blends were evaluated for thermal and mechanical properties that are critical to the protective performance of firefighter turnout gear. Environmental stress factors that a ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=911977

88. Characterizing Vaccinium berry Standard Reference Materials using NIST Mass Spectral Libraries
Topic: Chemistry
Published: 1/6/2013
Authors: Mark S Lowenthal, Nirina Rabe Andriamaharavo, Stephen E Stein, Karen W Phinney
Abstract: A gas chromatography-mass spectrometry-based (GC-MS) method was developed for qualitative characterization of metabolites found in Vaccinium-fruit (berry) dietary supplement Standard Reference Materials (SRMs). Definitive identifications are pro ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=912593

89. Quantifying Residual Stress Development and Reserve Strength in Restrained Internally Cured Concrete
Topic: Chemistry
Published: 1/1/2013
Authors: John Schlitter, Dale P Bentz, Jason Weiss
Abstract: Concrete can develop tensile stress when it is restrained from shrinking freely. Standard tests, like the restrained ring test (ASTM C1581-09) can be used to quantify how likely a mixture may be to crack under constant temperature conditions. The s ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=907144

90. NIST/NIH Vitamin D Metabolites Quality Assurance Program Report of Participant Results: Winter 2010 Compatibility Study (Exercise 1)
Series: NIST Interagency/Internal Report (NISTIR)
Report Number: 7890
Topic: Chemistry
Published: 12/21/2012
Authors: Mary Bedner, Katrice A Lippa
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=911152



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