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Displaying records 81 to 88.
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81. Thermochemistry of Ammonium Nitrate, NH4NO3, in the Gas Phase
Topic: Spectroscopy
Published: 10/7/2010
Author: Karl K Irikura
Abstract: Hildenbrand and coworkers have shown recently that the vapor above solid ammonium nitrate includes molecules of NH4NO3, not only NH3 and HNO3 as previously believed. Their measurements led to thermochemical values that imply an enthalpy change of D2 ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=905920

82. Time-Resolved Infrared Studies of a Trimethylphosphine Model Derivative of [FeFe]-Hydrogenase
Topic: Spectroscopy
Published: 10/1/2013
Authors: Edwin J Heilweil, Christopher Jon Stromberg, Melissa Johnson, James Thuman, Roger G. Letterman, Webster Edwin Charles
Abstract: Model compounds that structurally mimic the hydrogen-producing active site of [FeFe] hydrogenases have been explored. In order to explore potential ground-state electronic structure effects on reaction mechanisms compared to hexacarbonyl derivatives, ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=914239

83. Time-resolved terahertz spectroscopy (TRTS) of electrically conductive metal-organic frameworks (MOFs) doped with redox active species
Topic: Spectroscopy
Published: 9/24/2015
Authors: Brian G. Alberding, Edwin J Heilweil
Abstract: Metal-Organic Frameworks (MOFs) are three-dimensional coordination polymers that are well known for large pore surface area and their ability to adsorb molecules from both the gaseous and solution phases. In general, MOFs are electrically insulating, ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=919029

84. To Predict Vibrational Spectra, Are Anharmonic Calculations Worthwhile?
Topic: Spectroscopy
Published: 1/22/2013
Authors: Ruth Lafuente Jacobsen, Karl K Irikura, Russell D Johnson III, Raghu N Kacker
Abstract: Anharmonic calculations using vibrational perturbation theory are known to provide near-spectroscopic accuracy when combined with high-level ab initio potential energy functions. However, performance with economical, popular electronic structure meth ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=911024

85. Ultrafast Photoinduced Carrier Dynamics of Organic Semiconductors Measured by Time-Resolved Terahertz Spectroscopy
Topic: Spectroscopy
Published: 4/28/2010
Authors: Okan Esenturk, Joseph S Melinger, Paul A. Lane, Edwin J Heilweil
Abstract: Intrinsic properties of organic semiconductors are investigated by Time-Resolved Terahertz Spectroscopy (TRTS) to assess their relative mobilities and efficiencies. Our results are well correlated with device measurements, and show the effectiveness ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=902516

86. Ultrafast Transient THz Spectroscopy of Azobenzene
Topic: Spectroscopy
Published: 1/1/2005
Authors: Okan Esenturk, Edwin J Heilweil
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=104459

87. Using DTSA-II to Simulate and Interpret Energy Dispersive Spectra from Particles
Topic: Spectroscopy
Published: 2/27/2010
Author: Nicholas W m Ritchie
Abstract: A high quality x-ray spectrum image of a 3.3 μm diameter sphere of K411 glass resting on a copper substrate was collected at 25 keV. The same sample configuration was modeled using the NISTMonte Monte Carlo simulation of electron and x-ray tra ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=902046

88. Vibrationally-Resolved Sum-Frequency Generation With Broad Bandwidth Infrared Pulses
Topic: Spectroscopy
Published: 10/15/1998
Authors: Lee J Richter, T Petralli-Mallow, John Carter Stephenson
Abstract: We present a novel procedure for vibrationally-resolved sum-frequency generation (SFG) in which a broad-bandwidth IR pulse is mixed with a narrow-bandwidth visible pulse. The resultant SFG spectrum is dispersed with a spectrograph and detected in pa ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=831071



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