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Topic Area: Chemical Physics
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Displaying records 21 to 29.
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21. Submillimeter Spectrum and Analysis of Vibrational and Hyperfine Coupling Effects in (HI)2
Topic: Chemical Physics
Published: 10/1/2009
Authors: Laurent H. Coudert, Sergei P. Belov, F. Willaert, B. McElmurry, R. Lucchese, John W. Bevan, Jon Torger Hougen
Abstract: Observed rotational-vibrational transitions of HI dimer in the geared bending mode, centered at 511.9 GHz, are reported. This ~50 kHz high resolution spectrum was recorded using a co-axially configured pulsed jet submillimeter spectrometer and the h ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=903808

22. Symmetry and Fourier analysis of the ab-initio-determined torsional variation of structural and Hessian-related quantities for application to vibration-torsion-rotation interactions in CH3OH
Topic: Chemical Physics
Published: 1/11/2010
Authors: Li-Hong Xu, Jon Torger Hougen, Jonathan M. Fisher, Ronald M. Lees
Abstract: The aim of the present paper is to investigate the use of quantum chemistry calculations to obtain the torsional dependence of various structural and vibrational-force-field-related quantities that could help in estimating the vibration-torsion-rotat ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=903523

23. Time-Resolved Infrared Absorption Study of Cyclopentadienyl Manganese Tricarbonyl Derivatives With Pendant Sulfides in Acetonitrile
Topic: Chemical Physics
Published: 7/18/2006
Authors: Tung T. To, Edwin J Heilweil, T J Burkey
Abstract: The chelation dynamics of [5-C5H4C(O)R]Mn(CO)3 complexes 1 (R = CH2(SCH3)3), 2 (R = CH(SCH3)2), and 3 (R = C(SCH3)3) in room temperature acetonitrile solution have been investigated on the picosecond timescale by UV-pump IR-probe transient absorption ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=841001

24. UV EFFECTS IN TOOTH ENAMEL AND THEIR POSSIBLE APPLICATION IN EPR DOSIMETRY WITH FRONT TEETH
Topic: Chemical Physics
Published: 1/4/2010
Authors: S Sholom, Marc F Desrosiers, V Chumak, N. Luckyannov, S.L. Simon, A Bouville
Abstract: Quality control dosimetry is important to the routine operation of a radiation processing facility. For many applications this dosimetry must be traceable to a national primary standard. After irradiation at an industrial facility, NIST-supplied t ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=901120

25. Ultrafast Chelation Dynamics of a Manganese Tricarbonyl Derivative in Solid Polyacrylonitrile
Topic: Chemical Physics
Published: 1/1/2007
Authors: Tung T. To, Edwin J Heilweil
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=101777

26. Ultrafast Transient THz Spectroscopy of Azobenzene
Topic: Chemical Physics
Published: 1/1/2005
Authors: Okan Esenturk, Edwin J Heilweil
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=104459

27. Ultraviolet Photoemission Spectra of Para-Phenylene-Ethynylene Thiols Chemisorbed on Gold
Topic: Chemical Physics
Published: 1/1/0008
Authors: Christopher D Zangmeister, Roger D van Zee, Steven W Robey, N E Gruhn, Yuxing Yao, J M Tour
Abstract: Photoemission spectra of para-phenylene-ethynylene thiols chemisorbed on gold have been measured. Four compounds were studied: 4,4'-bis(phenylethynyl)-benzenethiol, 4 (phenylethynyl)benzenethiol, 4-ethynylbenzenethiol, and benzenethiol. The spectra w ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=830991

28. Use of the Grand Canonical Transition-Matrix Monte Carlo Method to Model Gas Adsorption in Porous Materials
Topic: Chemical Physics
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 ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=912491

29. Variable Temperature Scanning Tunneling Microscopy of Pentacene Monolayer and Bilayer Phases on Ag(111)
Topic: Chemical Physics
Published: 12/25/2008
Authors: Dan B. Dougherty, Jim Wei, William Cullen, Janice Reutt-Robey, Steven W Robey
Abstract: Pentacene deposited onto a Ag(111) surface at 300 K is studied using scanning tunneling microscopy at temperatures of 300 K and 50 K.  At 300 K, ordered pentacene structures nucleate at Ag step edges (<i>Phys. Rev. B</i>  <b>2005 ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=832229



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