C
Carolyn S. Brauer
Researcher at Pacific Northwest National Laboratory
Publications - 28
Citations - 648
Carolyn S. Brauer is an academic researcher from Pacific Northwest National Laboratory. The author has contributed to research in topics: Diffuse reflectance infrared fourier transform & Integrating sphere. The author has an hindex of 12, co-authored 27 publications receiving 485 citations.
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Journal ArticleDOI
Structural analysis of char by Raman spectroscopy: Improving band assignments through computational calculations from first principles
Matthew Smith,Ian Dallmeyer,Timothy J. Johnson,Carolyn S. Brauer,Jean-Sabin McEwen,Juan F. Espinal,Manuel Garcia-Perez +6 more
TL;DR: In this paper, the effects of various vacancy and substitution defects in a coronene parent molecule have been systematically analyzed using density functional theory (DFT), and the impacts of these defects are best understood in terms of a reduced symmetry as compared to a “parent” coronene molecule.
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Quantitative reflectance spectra of solid powders as a function of particle size
Tanya L. Myers,Carolyn S. Brauer,Yin-Fong Su,Thomas A. Blake,Russell G. Tonkyn,Alyssa B. Ertel,Timothy J. Johnson,Robert L. Richardson +7 more
TL;DR: The effects of particle size on the spectral properties are analyzed for several samples such as ammonium sulfate, calcium carbonate, and sodium sulfate as well as one organic compound, lactose to study the relationship between reflectance versus particle diameter.
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Complex refractive index measurements for BaF2 and CaF2 via single-angle infrared reflectance spectroscopy
Molly Rose K. Kelly-Gorham,Brent M. DeVetter,Carolyn S. Brauer,Bret D. Cannon,Sarah D. Burton,Mary Bliss,Timothy J. Johnson,Tanya L. Myers +7 more
TL;DR: In this article, the optical constants n and k for the homologous series of inorganic salts barium fluoride and calcium fluoride were investigated using a single-angle near-normal incidence reflectance device in combination with a calibrated Fourier transform infrared (FTIR) spectrometer.
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Quantitative infrared absorption cross sections of isoprene for atmospheric measurements
Carolyn S. Brauer,Thomas A. Blake,Alex Guenther,Steven W. Sharpe,Robert L. Sams,Timothy J. Johnson +5 more
TL;DR: In this paper, the authors report absorption cross sections and integrated band intensities for isoprene in the 600-6500 cm−1 region using a Bruker IFS 66v/S Fourier transform infrared (FTIR) spectrometer.
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Quantitative vapor-phase IR intensities and DFT computations to predict absolute IR spectra based on molecular structure: I. Alkanes
Stephen D. Williams,Timothy J. Johnson,Steven W. Sharpe,Veronica Yavelak,R.P. Oates,Carolyn S. Brauer +5 more
TL;DR: In this article, a simple model predicting the absolute IR band intensities of alkanes based only on structural formula is proposed: for the C3H stretching band envelope centered near 2930 cm−1 this is given by (km/mol) CH_str=(34±1)×CH−(41±23) where CH is number of C3h bonds in the alkane.