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Displaying records 1 to 10 of 14 records.
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1. A Microwave Study of Hydrogen-Transfer-Triggered Methyl-Group Rotation in 5-Methyltropolone
Topic: Chemical Physics
Published: 11/10/2010
Authors: Vadim V. Ilyushin, Emily A. Cloessner, Yung-Ching Chou, Laura B. Picraux, Jon Torger Hougen, Richard Lavrich
Abstract: We present here the first experimental and theoretical study of the microwave spectrum of 5-methyltropolone, which can be visualized as a 7-membered aromatic carbon ring with a five-membered hydrogen-bonded cyclic structure at the top and a methyl ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=903562

2. Analysis of Several High-Resolution Bands of Spiropentane, C5H8
Topic: Chemical Physics
Published: 6/15/2015
Authors: Alfons Weber, A. Maki, J. E Price, Jared Harzan, J. W. Nibler, T. Masiello, T Blake
Abstract: The high resolution absorption spectrum of spiropentane (C5H8) from 200 cm-1 to 4000 cm−1 has been measured and a detailed analysis is presented for eight bands in the region from 700 cm−1 to 2200 cm−1. Two fundamental perpendicula ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=918124

3. Computational Study of Trimer Self-Assembly and Fluid Phase Behavior
Topic: Chemical Physics
Published: 4/24/2015
Authors: Harold Wickes Hatch, Vincent K Shen, Jeetain Mittal
Abstract: The fluid phase diagram of trimer particles composed of one central attractive bead and two repulsive beads was determined as a function of simple geometric parameters using flat-histogram Monte Carlo methods. A variety of self-assembled structures ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=917884

4. Conformational Effects on Excitonic Interactions in a Prototypical H-bonded Bichromophore: Bis(2-hydroxyphenyl)methane
Topic: Chemical Physics
Published: 4/30/2009
Authors: David F Plusquellic, Nathan Pillsbury, Christian Mueller, Timothy Zwier
Abstract: Laser induced fluorescence (LIF), single vibronic level fluorescence, UV holeburning, and fluorescence-dip infrared (FDIR) spectroscopy have been carried out on bis-(2-hydroxyphenyl)methane (2HDPM) in order to characterize the ground and first excite ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=901215

5. 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- ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=915776

6. 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

7. 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

8. 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

9. 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

10. 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



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