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Topic Area: Molecular Physics
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1. A Critical Review of Second Virial Coefficients for Water Vapor with Air and With Argon
Topic: Molecular Physics
Published: 8/1/2005
Authors: Peter H. Huang, Allan H Harvey
Abstract: This work reviews the current state of knowledge for the second virial coefficients of water vapor with air and with argon. Comparative tabulations of the coefficients are given from -20 degrees C to 100 degrees C along with the associated uncer ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=830882

2. A New Torsion-Rotation Fitting Program for Molecules with a Six-Fold Barrier: Application to the Toluene Microwave Spectrum
Topic: Molecular Physics
Published: 10/29/2009
Authors: Vadim V Ilyushin, Zbigniew Kisiel, Lech Pszczolkowski, Heinrich Maeder, Jon Torger Hougen
Abstract: A new program is described for fitting rotation-torsion energy levels in the molecules like toluene, in which the frame (C6H5) has C2v symmetry and the methyl top has C3v symmetry, i.e., for molecules where the internal rotation barrier is expanded i ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=903188

3. Assignment, Fit, and Theoretical Discussion of the nu-10 Band of Acetaldehyde Near 509 cm^u-1^
Topic: Molecular Physics
Published: 9/4/2008
Authors: I Kleiner, N Moazzen-Ahmadi, A RW McKellar, Thomas A Blake, G Moruzzi, Jon Torger Hougen
Abstract: The lowest small-amplitude vibration in acetaldehyde (CH3CHO) is the in-plane aldehyde scissors mode ?10 at 509 cm?1. This mode lies about 100 cm?1 above the top of the barrier to internal rotation of the methyl group and is relatively well separate ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=841027

4. Conflicting Observations Resolved by a Far IR and UV/Vis Study of the NO^d3^ Radical
Topic: Molecular Physics
Published: 5/4/2009
Authors: Helmut Beckers, Helge Willner, Marilyn E Jacox
Abstract: By codeposition of NO/Ne and O2/Ne mixtures at 6 K, weakly bound complexes between O2 and NO are formed. They exhibit a strong, structured charge transfer UV band at lambda(max) = 275 nm. The UV band disappears during UV irradiation of the neon mat ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=901529

5. Conformational Effects on Excitonic Interactions in a Prototypical H-bonded Bichromophore: Bis(2-hydroxyphenyl)methane
Topic: Molecular 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

6. 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

7. Engineering Organometallic Femtosecond Chemistry: Photochemistry and Dynamics of Ultrafast Chelation of Cyclopentadienylmanganese Tricarbonyl Derivatives with Pendant Benzenecarbonyl and Pyridinecarbonyl Groups
Topic: Molecular Physics
Published: 10/24/2011
Authors: Edwin J Heilweil, Jermaine O. Johnson, Karen L. Mosley, Phillipe P. Lubet, Webster Edwin Charles, T J Burkey
Abstract: A new method was developed to prepare three cyclopentadienyl manganese tricarbonyl derivatives 1, 4, and 5 with different side chains (Mn{ 5-C5H4CH2COR}(CO)3, R = 2- pyridyl 1, phenyl 4, and 4-pyridyl 5). Steady-state UV-vis, FTIR, and NMR studies in ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=908544

8. 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

9. Intermolecular Potential and Second Virial Coefficient of the Water-Hydrogen Complex
Topic: Molecular Physics
Published: 1/1/2004
Authors: M P Hodges, R J Wheatley, G K Schenter, Allan H Harvey
Abstract: We construct a rigid-body (5-dimensional) potential-energy surface for the water-hydrogen complex using scaled perturbation theory (SPT). An analytic fit of this surface is obtained, and using this, two minima are found: the global miniumum has C^d2 ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=831920

10. Intermolecular potential and second virial coefficient of the water-nitrogen complex
Topic: Molecular Physics
Published: 3/6/2007
Authors: Allan H Harvey, Akyl S. Tulegenov, Richard J. Wheatley, Matthew P. Hodges
Abstract: We construct a rigid-body (five-dimensional) potential-energy surface for the water-nitrogen complex using the systematic intermolecular potential extrapolation routine (SIMPER). The intermolecular potential is then extrapolated to the limit of a com ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=50376



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