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Topic Area: Molecular Physics
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1. Detection of l-C3H+ in Sgr B2(N) and Sgr B2(OH) and Refinement of its Spectroscopic Constants via the Publicly Available PRIMOS Survey and the Barry E. Turner Legacy Survey
Topic: Molecular Physics
Published: 9/1/2013
Authors: Francis John Lovas, Brett A. McGuire, P. Brandon Carroll, Ryan A. Loomis, Geoffery A. Blake, Jan M. Hollis, Phillip R. Jewell, Anthony J. Remijan
Abstract: Pety et al. (2012) recently reported the detection and assignment of l-C3H+ in the Horsehead nebula. Here, we expand that analysis to include the J = 1 - 0 and J = 2 - 1 transitions of l-C3H+ observed in absorption towards Sgr B2(N) in data from the ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=913359

2. Mass diffusion of organic fluids: a molecular dynamics perspective
Series: Technical Note (NIST TN)
Report Number: 1805
Topic: Molecular Physics
Published: 5/31/2013
Authors: Alexander Y Smolyanitsky, Andrei F Kazakov, Thomas J Bruno, Marcia L Huber
Abstract: A well-established interaction potential, the Optimized Potential for Liquid Simulation All-Atom (OPLS-AA) force-field, within the MD framework was used to determine self- and mutual diffusivity of several near-critical and supercritical fluids. ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=913878

3. The Infrared Spectrum of HOOH+ Trapped in Solid Neon
Topic: Molecular Physics
Published: 10/12/2012
Authors: Warren Elwin Thompson, Catherine L. Lugez, Marilyn E Jacox
Abstract: When a Ne:H2O2 mixture is codeposited at 4.3 K with a beam of neon atoms that have been excited in a microwave discharge, three new, photosensitive absorptions appear which can be assigned to the three infrared-active fundamentals of trans-HOOH+. Wh ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=911738

4. Interstellar Carbodiimide (HNCNH) - A New Astronomical Detection from the GBT PRIMOS Survey via Maser Emission Features
Topic: Molecular Physics
Published: 10/1/2012
Authors: Brett A. McGuire, Ryan A. Loomis, Cameron M. Charness, Geoffery A. Blake, Jan M. Hollis, Francis John Lovas, Philip R. Jewell, Anthony J. Remijan
Abstract: Historically, searches for new astronomical molecules resulted in the detection of favorable, high line strength transitions based on a thermal approximation to the excitation of these species in interstellar environments. Given the temperatures of ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=911900

5. The Infrared Spectrum of NN...CO+ Trapped in Solid Neon
Topic: Molecular Physics
Published: 12/15/2011
Authors: Warren Elwin Thompson, Marilyn E Jacox
Abstract: Codeposition of a Ne:N2:CO = 200:1:1 mixture at 4.3 K with a beam of very pure neon atoms excited to their energy levels between 16.6 and 16.85 eV leads to stabilization in the resulting solid of sufficient NNCO+ for detection of its NN- and CO-stret ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=909909

6. Precision spectroscopy with frequency combs at 3.4 {mu}m
Topic: Molecular Physics
Published: 8/2/2011
Authors: Esther Baumann, Fabrizio Raphael Giorgetta, William C Swann, Alexander M. Zolot, Ian R Coddington, Nathan Reynolds Newbury
Abstract: We discuss precision spectroscopy with a comb-based spectrometer at 3.4 {mu}m. Our goal is to explore comb-based spectroscopy as an alternative method for fast, highly resolved, accurate measurements of gas line shapes. The spectrometer uses dual 1.5 ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=909488

7. GaN Nanowires Grown by Molecular Beam Epitaxy
Topic: Molecular Physics
Published: 8/1/2011
Authors: Kristine A Bertness, Norman A Sanford, Albert Davydov
Abstract: The unique properties of GaN nanowires grown by molecular beam epitaxy are reviewed. These properties include the absence of residual strain, exclusion of most extended defects, long photoluminescence lifetime, low surface recombination velocity,and ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=909502

8. The Infrared Spectra of BF3+ and BF2OH+ Trapped in Solid Neon
Topic: Molecular Physics
Published: 5/20/2011
Authors: Marilyn E Jacox, Warren Elwin Thompson
Abstract: Observations on a Ne:BF3 = 400:1 mixture into which a trace of normal or isotopically enriched water had been introduced, codeposited at 4.3 K with a beam of neon atoms that had been excited in a microwave discharge, demonstrate that a pair of absorp ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=907606

9. Photoexcitation of Free Radicals and Molecular Ions Trapped in Rare-Gas Solids.
Topic: Molecular Physics
Published: 5/2/2011
Author: Marilyn E Jacox
Abstract: The photochemical production of free radicals, molecular ions, and other highly reactive species, their trapping in rare-gas solids for studies of their vibrational and electronic spectra, and the use of secondary photolysis for product identificatio ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=904149

10. Intermolecular potential energy surface and second virial coefficients for the water-CO2 dimer
Topic: Molecular Physics
Published: 4/7/2011
Authors: Allan H Harvey, Richard J. Wheatley
Abstract: The first complete five-dimensional potential energy surface is calculated for the interaction of water and carbon dioxide, using second-order Møller-Plesset perturbation theory (MP2) and coupled-cluster theory with single, double and perturbative tr ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=905716



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