NIST logo

Publications Portal

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

Displaying records 1 to 10 of 14 records.
Resort by: Date / Title

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 ...

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 ...

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 ...

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 ...

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- ...

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 ...

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 ...

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 ...

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 ...

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 ...

Search NIST-wide:

(Search abstract and keywords)

Last Name:
First Name:

Special Publications:

Looking for a NIST Special Publication (NIST SP Series)? Place the series number and dash in the report number field (Example: 800-) and begin your search.

  • SP 250-XX: Calibration Services
  • SP 260-XX: Standard Reference Materials
  • SP 300-XX: Precision Measurement and Calibration
  • SP 400-XX: Semiconductor Measurement Technology
  • SP 480-XX: Law Enforcement Technology
  • SP 500-XX: Computer Systems Technology
  • SP 700-XX: Industrial Measurement Series
  • SP 800-XX: Computer Security Series
  • SP 823-XX: Integrated Services Digital Network Series