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Topic Area: Chemical Physics

Displaying records 1 to 10 of 35 records.
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1. Identification of phase boundaries in surfactant solutions via Compton spectrum quenching,Identification of phase boundaries in surfactant solutions via Compton spectrum quenching
Topic: Chemical Physics
Published: 9/18/2014
Author: Denis E Bergeron
Abstract: The critical micelle concentration and the phase boundary between isolated surfactant molecules and aggregates are probed via fluorescence spectroscopy and a Compton spectrum quenching technique for aqueous and toluenic solutions of Triton X-100 (TX- ...

2. Study of CeI^d3^ evaporation in the presence of Group 13 metal-iodides
Topic: Chemical Physics
Published: 1/17/2014
Authors: John J Curry, Albert Henins, E. G Estupinan, S. D. Shastri, Jonathan E Hardis, W. P. Lapatovich
Abstract: The influence of GaI$_3$, InI, and TlI on the evaporation characteristics of CeI$_3$ have been studied over the temperature range 900 K to 1400 K using x-ray induced fluorescence. The total vapor densities, summed over all atomic and molecular speci ...

3. Time-Resolved Infrared Studies of a Trimethylphosphine Model Derivative of [FeFe]-Hydrogenase
Topic: Chemical Physics
Published: 10/1/2013
Authors: Edwin J Heilweil, Christopher Jon Stromberg, Melissa Johnson, James Thuman, Roger G. Letterman, Webster Edwin Charles
Abstract: Model compounds that structurally mimic the hydrogen-producing active site of [FeFe] hydrogenases have been explored. In order to explore potential ground-state electronic structure effects on reaction mechanisms compared to hexacarbonyl derivatives, ...

4. Enhancement of lanthanide evaporation by complexation: DyI3/InI and TmI3/TlI
Topic: Chemical Physics
Published: 9/30/2013
Authors: John J Curry, Albert Henins, Jonathan E Hardis, E. G Estupinan, W. P. Lapatovich, S. D. Shastri
Abstract: The vapors in equilibrium with condensates of DyI$_3$, DyI$_3$/InI, TmI$_3$, and TmI$_3$/TlI have been observed over the temperature range 900 K to 1400 K using x-ray induced fluorescence. The total densities of each element (Dy, Tm, In, Tl, and I) ...

5. Classical over-the-barrier model for neutralization of highly charged ions above thin dielectric films
Topic: Chemical Physics
Published: 6/3/2013
Authors: Joshua M Pomeroy, Russell Lake, C E Sosolik
Abstract: We apply the classical over-the-barrier model (COB) to charge transfer between highly charged ions (HCIs)and targets consisting of thin dielectric films on metals. Distances for the onset of classically allowed above surface electron capture are ...

6. Remarks on the Phase Change of the Electronic Wave Function Upon Going Once Around a Jahn-Teller Conical Intersection in Vibrational Coordinate Space
Topic: Chemical Physics
Published: 4/11/2013
Author: Jon Torger Hougen
Abstract: In this paper we revisit, with pedagogical emphasis for high-resolution spectroscopists, some presently existing discussions of phase factors for fixed-nuclei electronic wavefunctions in the Jahn-Teller problem. We give explicit examples, for a symm ...

7. 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 ...

8. 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 ...

9. Multi-valued Versus Single-Valued Large-Amplitude Bending-Torsional-Rotational Coordinate Systems for Simultaneously Treating Trans-Bent and Cis-Bent Acetylene in its S1 State
Topic: Chemical Physics
Published: 7/28/2012
Author: Jon Torger Hougen
Abstract: There are now a large number of papers in the spectroscopic literature which make use of multiple-valued (frequently double-valued) coordinate systems and the associated multiple-groups of the permutation-inversion group to deal with the symmetry pro ...

10. CODATA Recommended Values of the Fundamental Physical Constants: 2010
Series: Special Publication (NIST SP)
Report Number: 961
Topic: Chemical Physics
Published: 3/1/2012
Authors: Peter J Mohr, Barry Norman Taylor, David B Newell
Abstract: NIST SP 961 (Dec/2012)

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