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Displaying 29726 - 29750 of 73783

Hydrogen-Bonded Complexes in Chloroform: Affinity, Entropy, and Conformation

October 16, 2008
Author(s)
M S. Head, R Luo, J A. Given, M K. Gilson
This paper uses a novel, efficient method of computing noncovalent binding affinities to study a series of flat, triply hydrogen-bonding molecules in chloroform. Good agreement with experiment is obtained. The calculations provide detailed information on

Hydrolysis of Carbonyl Sulfide: A Potential Source of Downstream Sour Gas

October 16, 2008
Author(s)
Thomas J. Bruno, W C. Andersen, K I. Henning
rbonyl sulfide (COS), which occurs as an impurity in commercial sources fo propane can hydrolyze in the presence of water to form hydrogen sulfide (H2S) and carbon dioxide (COS) is not itself corrosive, the hydrolysis product H2S is corrosive, especially

Image Analysis for High-Throughput Materials Science

October 16, 2008
Author(s)
Alamgir Karim, A Sehgal, J C. Meredith, A J. Crosby, Eric J. Amis
Imaging plays a key role in modern day materials science by providing a high-density format of data representation that can be visually interpreted or processed by the human brain in a fraction of a second. We have illustrated a few select examples-

In Search of Higher Sensitivity Pu Isotopic Analysis

October 16, 2008
Author(s)
Hiromu Kurosaki, D Chang, Kenneth G. Inn
Thermal ionization mass spectrometry (TIMS) is an effective method for isotopic and ultra-sensitivity determination of plutonium. This project aims at improving the NIST TIMS sensitivity for the analysis of plutonium from environmental sample. The TIMS

In Vitro Remineralization of Artificial Tooth Lesions with Ca-PO 4 Resin Cements

October 16, 2008
Author(s)
Sabine H. Dickens, Glenn M. Flaim, Shozo Takagi
Resin-based Ca-PO 4 cements without (Cement A) and with a fluoride-releasing additive (Cement B) were used to treat caries-like lesions on enamel and dentin thin sections of human molars (Model I), which were then incubated for up to 6 weeks in distilled H

In-Situ Visualization of Novel Polymer Droplet Morphologies During Extrusion

October 16, 2008
Author(s)
Erik K. Hobbie, Kalman Migler
We report the observation of novel droplet morphologies in the high stress layers near the walls of a specially instrumented slit die. We utilize in-situ optical microscopy to study a dilute blend of polystyrene (PS) in a polyethylene (PE) matrix. At low

InChI a Structure Based IUPAC Identifier for 3-D Structures of AIDS Inhibitors

October 16, 2008
Author(s)
M D. Prasanna, H Rodriguez, J Vondrasek, A Wlodawer, Talapady N. Bhat
The human immunodeficiency virus encodes an aspartic protease which is responsible for posttranslational proteolytic processing of the gag and gag-pol polyprotein gene products into mature functional proteins. Following these proteolytic activities, the

Incorporation of Stereo, Regio and Comonomer Defects Into the Crystalline Regions of Isotactic Polypropylene: Results From NMR, Molecular Dynamics and Chemical Shift Calculations

October 16, 2008
Author(s)
David L. VanderHart, Marc R. Nyden, R G. Alamo, L Mandelkern
We have shown that under conditions of crystallization during cooling at 1C/min, substantial amounts of 'defects' of the types a) stereo-mrrm, b) regio-2,1-erythro, c) ethylene-comonomer and d) butylene- comonomer can be found in the crystalline regions

Index of Retraction and its Temperature Dependence of Calcium Fluoride Near 157nm

October 16, 2008
Author(s)
John H. Burnett, Ulf Griesmann, R Gupta, T E. Jou
We have made accurate measurements near 157 nm of the relative index of refraction, its dispersion, and its temperature dependence for two grades of calcium fluoride in N 2 gas. Accurate measurements of the quantitites are needed for the design of lens

Infrared and Raman Studies of the Verwey Transition in Magnetite

October 16, 2008
Author(s)
L V. Gasparov, D B. Tanner, D B. Romero, H Berger, G Margaritondo, L Forro
We present infrared and Raman measurements of magnetite (Fe 3O 4). This material is known to undergo a metal-insulator and a structural transition (Verwey transition) at T V = 120 K. At temperatures below T V, we observe a strong gap-like suppression of
Displaying 29726 - 29750 of 73783
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