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Topic Area: Chemical Physics
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Displaying records 21 to 30 of 31 records.
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21. Striped Domains at the Pentacene:C^d60^ Interface
Topic: Chemical Physics
Published: 1/12/2009
Authors: Dan B. Dougherty, W Jin, J Cullen, J Reutt-Robey, Steven W Robey
Abstract: STM observations of the initial growth stages of the first layer of pentacene on a monolayer film of C60 on Ag(111) are presented. Pentacene films nucleate and grow with molecules standing up at the Pentacene:C60 interface similar to the well known ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=832314

22. 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

23. 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

24. Table-top ultrafast x-ray microcalorimeter spectrometry for molecular structure
Topic: Chemical Physics
Published: 3/26/2013
Authors: Jens (Jens) Uhlig, William Bertrand Doriese, Joseph Westbrook Fowler, Daniel S Swetz, Carl D Reintsema, Douglas A Bennett, Leila R Vale, Gene C Hilton, Kent D Irwin, Joel Nathan Ullom, Ilari Maasilta, Wilfred Fullagar, Niklas Gador, Sophie Canton, Kimmo Kinnunen, Villy Sundstrom
Abstract: This work presents an x-ray absorption measurement by use of ionizing radiation generated by a femtosecond pulsed laser source. The spectrometer was a microcalorimetric array whose pixels are capable of accurately measuring energies of individual ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=911715

25. 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

26. 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

27. 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

28. 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

29. 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

30. 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



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