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Topic Area: Molecular Physics

Displaying records 11 to 20 of 31 records.
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11. 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

12. The Infrared Spectra of C2H4+ and C2H3 Trapped in Solid Neon
Topic: Molecular Physics
Published: 2/14/2011
Authors: Marilyn E Jacox, Warren Elwin Thompson
Abstract: When a mixture of ethylene in a large excess of neon is codeposited at 4.3 K with a beam of neon atoms that have been excited in a microwave discharge, two groups of product absorptions appear in the infrared spectrum of the deposit. Similar studies ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=907297

13. Metrology of Molecular Devices made by Flip Chip Lamination
Topic: Molecular Physics
Published: 4/30/2010
Authors: Christina Ann Hacker, Mariona Coll Bau, Curt A Richter
Abstract: Scaling of conventional electronics has continued unabated to dimensions approaching fundamental physical limits. As technology continues to evolve there are increasing demands to identify alternate routes of performing electrical functions. One po ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=904896

14. The A 2E" - X 2A2' Transition of NO^d3^ Trapped in Solid Neon
Topic: Molecular Physics
Published: 4/7/2010
Authors: Marilyn E Jacox, Warren Elwin Thompson
Abstract: NO3 has been stabilized in a neon matrix at 4.3 K in sufficient yield for detection of the absorptions between 7000 and 10000 cm-1 which arise from vibronically allowed transitions from its ground state to levels of the A 2E" state. The results conf ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=903980

15. 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

16. Microwave Spectrum of 1,2-Propanediol
Topic: Molecular Physics
Published: 9/1/2009
Authors: Francis John Lovas, David F Plusquellic, Brooks Pate, Justin L. Neill, Matt T. Muckle, Anthony J. Remijan
Abstract: The microwave spectrum of the sugar alcohol 1,2-propanediol (CH3CHOHCH2OH) has been measured over the frequency range 6.5 GHz to 25.0 GHz with several pulsed-beam Fourier-transform microwave spectrometers. Seven conformers of 1,2-propanediol have be ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=902388

17. 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

18. Strategies for Advanced Applications of Permutation-Inversion Groups to the Microwave Spectra of Molecules with Large Amplitude Motions
Topic: Molecular 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 ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=901502

19. 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

20. Rotationally Resolved Studies of the Exciton Coupled S1/S2 Origin Regions of Diphenylmethane and the d12 Isotopologue
Topic: Molecular Physics
Published: 12/9/2008
Authors: David F Plusquellic, Kevin O Douglass, Jaime Stearns, Nathan Pillsbury, Timothy Zwier, Christian Muller
Abstract: Rotationally resolved microwave and ultraviolet spectra of jet-cooled diphenylmethane (DPM) and DPM-d^12 have been obtained in S^d0, S^d1 and S2 electronic states using Fourier-transform microwave and UV laser/molecular beam spectrometers. The S0 and ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=842541



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