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Displaying records 61 to 70 of 800 records.
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61. Use of the Grand Canonical Transition-Matrix Monte Carlo Method to Model Gas Adsorption in Porous Materials
Topic: Chemistry
Published: 2/21/2013
Authors: Daniel W Siderius, Vincent K Shen
Abstract: We present grand canonical transition-matrix Monte Carlo (GC-TMMC) as an efficient method for simulating gas adsorption processes, with particular emphasis on subcritical gas adsorption in which capillary phase transitions are present. As in other a ...

62. 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 ...

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 ...

64. 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 ...

65. Gallium Nitride Nanowires for On-Chip Optical Interconnects on Ex-Situ Substrates
Topic: Chemistry
Published: 1/16/2013
Authors: Matthew David Brubaker, Paul T Blanchard, John B. Schlager, Aric Warner Sanders, Alexana Roshko, Shannon M.M. 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 ...

66. 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 ...

67. 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 ...

68. 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

69. Precise conductance measurements of a pinhole orifice using a constant-pressure flowmeter
Topic: Chemistry
Published: 12/1/2012
Authors: James A Fedchak, Dana R Defibaugh
Abstract: A pinhole orifice with a known conductance can be used as the basis of a flowmeter. Commercially available laser-drilled pinhole orifices with diameters ranging from 1.0 μm to 50 μm can have conductances ranging from about 0.1 μL/s to ...

70. A Humidity Generator for Temperatures to 200 °C and Pressures to 1.6 MPa
Topic: Chemistry
Published: 11/30/2012
Authors: D Vega-Maza, W Wyatt Miller, Dean C Ripple, Gregory E Scace
Abstract: We have constructed a new humidity generator that produces gas streams of known moisture content at temperatures from 85 °C to 200 °C, absolute pressures from 0.2 MPa to 1.6 MPa, and relative humidities from 10 % to 90 %. The generator produces a moi ...

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