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You searched on: Topic Area: Chemical Physics Sorted by: title

Displaying records 11 to 20 of 22 records.
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11. Mid-Infrared Time-Resolved Frequency Comb Spectroscopy of Transient Free Radicals
Topic: Chemical Physics
Published: 6/10/2014
Authors: Adam J Fleisher, Bryce Bjork, Thinh Q. Bui, Kevin C Cossel, Mitchio Okumura, Jun Ye
Abstract: Quantitative measurements in chemical kinetics require unambiguous determinations of reactant, intermediate, and product concentrations on time scales faster than the reaction rate. Direct absorption spectroscopy in the mid-infrared (mid-IR) can fulf ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=914867

12. 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 ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=910766

13. One-dimensional frequency-based spectroscopy
Topic: Chemical Physics
Published: 5/22/2015
Authors: Joseph Terence Hodges, A. Cygan, Piotr Wcislo, S. Wojtewicz, Piotr Maslowski, R. Ciurylo, D Lisak
Abstract: Recent developments in optical metrology have tremendously improved the precision and accuracy of the horizontal (frequency) axis in measured spectra. However, the vertical (typically absorbance) axis is usually based on intensity measurements tha ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=917717

14. 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 ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=910751

15. Self-Assembly of Trimer Colloids: Effect of shape and interaction range
Topic: Chemical Physics
Published: 4/5/2016
Authors: Harold Wickes Hatch, Seung Y. Yang, Jeetain Mittal, Vincent K Shen
Abstract: Trimers with one attractive bead and two repulsive beads, similar to recently synthesized trimer patchy colloids, were simulated with flat-histogram Monte Carlo methods to obtain the stable self-assembled structures for different shapes and interac ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=919870

16. Semiclassical fifth virial coefficients for improved ab initio helium-­4 standards
Topic: Chemical Physics
Published: 2/15/2012
Authors: Katherine Shaul, Andrew Schultz, David A. Kofke, Michael R Moldover
Abstract: For helium-4, we present ab initio, semi-classical calculations of virial coefficients Bn for for n = 2, 3, 4, and 5 from 50 K to 1000 K. Using our values of B4 and B5 and the more accurate literature values of B2 and B3, we argue that the ab initio ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=910524

17. Shear Thinning Near the Critical Point of Xenon
Topic: Chemical Physics
Published: 4/17/2008
Authors: Robert F Berg, Michael R Moldover, M Yao, G A Zimmerli
Abstract: We measured shear thinning, a viscosity decrease ordinarily associated with complex liquids, near the critical point of xenon. The data span the range of reduced shear rates: 0.001 < {gamma}{tau} < 700, where {gamma}{tau} is the shear rate scal ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=830987

18. Strategies for Advanced Applications of Permutation-Inversion Groups to the Microwave Spectra of Molecules with Large Amplitude Motions
Topic: Chemical Physics
Published: 5/4/2009
Author: Jon Torger Hougen
Abstract: This article presents permutation-inversion group-theoretical strategies and recipes that will help a high-resolution molecular spectroscopist attempting to use the existing pedagogical literature to carry out their own treatment of the basic symmet ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=901502

19. 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

20. 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



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