# Browse Abstracts & Presentations - 2018 International Symposium on Molecular Spectroscopy by Title

• (International Symposium on Molecular Spectroscopy, 06/20/18)
The energy at the empirical bond length of Li$_2(1^3\Sigma_u^+)$ of 4.1700\AA\,\footnote{Dattani N. S., Le$\,$Roy R. J. (2011) \textit{J. Mol. Spec.}. \textbf{268}, 199-210.; Semczuk M., \textit{et al.} (2013) \textit{Phys. ...

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Microsoft PowerPoint 2007 (4MB)
• (International Symposium on Molecular Spectroscopy, 06/22/18)
The two titled molecules have been studied in the past by one of us (RKB) and coworkers. Due to unassigned splittings of the methyl internal rotations, and inconsistencies in the spectroscopic fits the studies were deemed ...

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Microsoft PowerPoint 2007 (2MB)
• (International Symposium on Molecular Spectroscopy, 06/20/18)
We have generated NO$_3$ in a supersonic free jet expansion, and observed laser induced fluorescence (~LIF~) and two-color resonant four-wave mixing (~2C-R4WM~) signals. We have measured dispersed fluorescence (~DF~) ...

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PDF (695kB)
• (International Symposium on Molecular Spectroscopy, 06/19/18)
Chirped pulse Fourier transform spectroscopy (CP-FTMW) has become a widely used technique for the detection of molecular rotational spectra owing to its broad frequency coverage. Traditional CP-FTMW set ups involve ...

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PDF (911kB)
• (International Symposium on Molecular Spectroscopy, 06/18/18)
It is possible to compute vibrational spectra using the Heidelberg implementation of the multi-configuration time-dependent Hartree method. However, the Heidelberg program can only be used if the potential energy surface ...

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PDF (246kB)
• (International Symposium on Molecular Spectroscopy, 06/19/18)
The analysis of chiral molecules with multiple chiral centers is a challenging problem in analytical chemistry. The goal of the analysis is to determine the fractional composition for each unique stereoisomer. In the ...

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Microsoft PowerPoint 2007 (2MB)
• (International Symposium on Molecular Spectroscopy, 06/21/18)
The \textit{meta}-anisic acid and its complexes with formic acid have been studied in the 2-15 GHz frequency region using chirped-pulse Fourier transform microwave spectroscopy (CP-FTMW). For \textit{meta}-anisic acid, ...

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Microsoft PowerPoint 2007 (6MB)
• (International Symposium on Molecular Spectroscopy, 06/19/18)
We present a new \textit{ab initio} dipole moment surface (DMS) for the water molecule valid for transitions which stretch into the near ultraviolet. Intensities computed using this surface agree very well with precise ...

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PDF (25MB)
• (International Symposium on Molecular Spectroscopy, 06/22/18)
When computing vibrational spectra with collocation and localized basis functions such as Gaussian functions, one can choose the distribution of points and of function centers to increase the accuracy or decrease the cpu ...

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PDF (593kB)
• (International Symposium on Molecular Spectroscopy, 06/19/18)
A new program is described for fitting several isolated small-amplitude fundamentals embedded in a pure torsional bath in molecules like acetaldehyde, in which the frame has C$_{s}$ symmetry and the methyl top has C$_{3v}$ ...

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Microsoft PowerPoint 2007 (1MB)
• (International Symposium on Molecular Spectroscopy, 06/18/18)
We present a new method for solving the vibrational Schroedinger equation for polyatomic molecules. It has the following advantages: 1) the size of the matrix eigenvalue problem is the size of the required pruned ...

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PDF (2MB)
• (International Symposium on Molecular Spectroscopy, 06/18/18)
The structure of the Gly-Pro and Pro-Gly dipeptides have been studied by laser ablation chirped pulse and molecular beam Fourier transform microwave (LA-CP-FTMW and LA-MB-FTMW) spectroscopy.\footnote{Bermúdez, C.; Mata, ...

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Microsoft PowerPoint 2007 (5MB)
• (International Symposium on Molecular Spectroscopy, 06/22/18)
Here, I continue my discussion of Sulfur Mass Independent Fractionation (S-MIF) in the S$_2$ B-X UV band system, relevant to the geologic signature of the anoxic atmosphere that existed prior to the Great Oxygen Event 2.4 ...

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Microsoft PowerPoint 2007 (1MB)
• (International Symposium on Molecular Spectroscopy, 06/20/18)
The 2-methoxybenzoic acid (\textit{o}-anisic acid) and its complexes with water have been studied in the 2-12 GHz frequency region combining chirped-pulse Fourier transform microwave spectroscopy (CP-FTMW) and molecular ...

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Microsoft PowerPoint 2007 (1MB)
• (International Symposium on Molecular Spectroscopy, 06/21/18)
The rotational spectrum of methyl carbamate has been recorded in the 2-8 GHz frequency region using a chirped-pulse Fourier transform microwave spectrometer. The carrier gas was seeded with water and methyl carbamate vapors ...

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Microsoft PowerPoint 2007 (701kB)
• (International Symposium on Molecular Spectroscopy, 06/22/18)
The Great Oxygenation Event (GOE), the introduction of O$_{2}$ into the Earth’s atmosphere approximately 2.4 billion years ago, is a critical signpost in the development of life on Earth. The vanishing of sulfur isotope ...

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Microsoft PowerPoint 2007 (1000kB)
• (International Symposium on Molecular Spectroscopy, 06/19/18)
\begin{wrapfigure}{l}{0pt} \includegraphics[scale=0.5]{Tx_ISMS2018_DJN.eps} \end{wrapfigure}The distinct rotational signatures of gas-phase molecular species in the millimeter (mm) and sub- millimeter (sub-mm) spectral ...

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PDF (5MB)
• (International Symposium on Molecular Spectroscopy, 06/18/18)
I shall present an improvement and applications of the Hierarchical Intertwined Reduced-Rank Block Power Method (J. Chem. Phys, 146, 204110 (2017)) for solving the vibrational Schroedinger equation. The improvement ...

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PDF (596kB)
• (International Symposium on Molecular Spectroscopy, 06/21/18)
A recently implemented cavity ring-down spectrometer has been used to perform absolute number density measurements of hydroperoxyl radical (HO$_{2}$) generated in a repetitive nanosecond-duration, pulse discharge sustained ...

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Microsoft PowerPoint 2007 (3MB)
• (International Symposium on Molecular Spectroscopy, 06/19/18)
A microwave-(sub)millimeter wave double resonance experiment was developed in order to improve the ease with which one is able to assign spectral lines by displaying the interconnectivity of states. This experiment combines ...

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PDF (2MB)