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11. 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 ...

12. 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 ...

13. 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 ...

14. 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 ...

15. 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 ...

16. 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 ...

17. Variable Temperature Scanning Tunneling Microscopy of Pentacene Monolayer and Bilayer Phases on Ag(111)
Topic: Chemical Physics
Published: 12/25/2008
Authors: Dan B. Dougherty, Jim Wei, William Cullen, Janice Reutt-Robey, Steven W Robey
Abstract: Pentacene deposited onto a Ag(111) surface at 300 K is studied using scanning tunneling microscopy at temperatures of 300 K and 50 K.  At 300 K, ordered pentacene structures nucleate at Ag step edges (<i>Phys. Rev. B</i>  <b>2005 ...

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