NIST logo

Publications Portal

You searched on:
Topic Area: Chemical Physics

Displaying records 11 to 20 of 35 records.
Resort by: Date / Title

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 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. Extension of the Steele 10-4-3 Potential for Adsorption Calculations in Cylindrical, Spherical, and Other Pore Geometries
Topic: Chemical Physics
Published: 8/25/2011
Authors: Daniel W Siderius, Lev D Gelb
Abstract: In this Letter we reinterpret the widely-used Steele 10-4-3 potential for a gas molecule interacting with a planar surface, and derive analogous potentials for adsorption in cylindrical and spherical pores. These new potentials correctly recover the ...

13. 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 ...

14. Dual frequency combs at 3.4 µm with subhertz residual linewidths
Topic: Chemical Physics
Published: 5/1/2010
Authors: Esther Baumann, Fabrizio Raphael Giorgetta, Ian R Coddington, William C Swann, Nathan Reynolds Newbury
Abstract: Two coherent 1.5-µm frequency combs are transferred to 3.4 µm by difference frequency generation with a 1064 nm cw laser. From a multi-heterodyne measurement, the residual linewidth between the comb teeth is resolution-limited at 200 mHz.

15. On Walking in the Footprints of Giants
Topic: Chemical Physics
Published: 3/1/2010
Author: Marilyn E Jacox
Abstract: This chapter tells of a lifelong fascination with light, a messenger bearing information from realms ranging from the galactic to the submicroscopic. Personal interactions have shaped and informed this life journey. Accounts of some of the most imp ...

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 ...

Topic: Chemical Physics
Published: 1/4/2010
Authors: S Sholom, Marc F Desrosiers, V Chumak, N. Luckyannov, S.L. Simon, A Bouville
Abstract: Quality control dosimetry is important to the routine operation of a radiation processing facility. For many applications this dosimetry must be traceable to a national primary standard. After irradiation at an industrial facility, NIST-supplied t ...

18. 34S16O2: High Resolution analysis of the (030), (101), (111), (002) and (201) vibrational states; Determination of equilibrium rotational constants for sulfur dioxide.
Topic: Chemical Physics
Published: 10/12/2009
Authors: Walter Joseph Lafferty, Jean-Marie Flaud
Abstract: High resolution Fourier transform spectra of a sample of sulfur dioxide enriched in 34S (95.3%). have been completely analyzed leading to a large set of assigned lines. The experimental levels derived from this set of transitions have been fit to wi ...

19. Relative Photon-to-Carrier Efficiencies of Alternating Nanolayers of Zinc Phthalocyanine and C60 Multilayer Films Assessed by Time-Resolved Terahertz Spectroscopy
Topic: Chemical Physics
Published: 10/1/2009
Authors: Okan Esenturk, Joseph S Melinger, Paul A. Lane, Edwin J Heilweil
Abstract: Alternating multi-layer and 1:1 blended films of zinc phthalocyanine (ZnPc)and buckminsterfullerene (C60) were investigated as model active layers for solar cells by Time-Resolved Terahertz Spectroscopy (TRTS). Relative photon-to-carrier efficiencies ...

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 ...

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