# Browse Abstracts & Presentations - 2021 International Symposium on Molecular Spectroscopy by Title

• (International Symposium on Molecular Spectroscopy, 2021-06-23)
In recent years, there has been increasing interest in combining machine learning with computational chemistry. Many machine learning applications in theoretical chemistry have focused on the development of potential ...

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• (International Symposium on Molecular Spectroscopy, 2021-06-24)
The global electronic structures of C$_2$\,$^1\Pi_g$ and $^3\Pi_g$ states, up to the energy of the first symmetry-allowed C(2s2p$^3$)+C(2s$^2$2p$^2$) dissociation channel, are modeled using a diabatic state interaction ...

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• (International Symposium on Molecular Spectroscopy, 2021-06-22)
The vapor-phase and Raman spectra of 3-cyclopenten-1-ol (3CPOL) and 3-cyclopenten-1-amine (3CPAM) have been recorded and analyzed. The spectra demonstrate the existence of six conformers for each molecule, two pairs of ...

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• (International Symposium on Molecular Spectroscopy, 2021-06-23)
Variational rovibrational calculations for small molecules with up to 3 atoms are nowadays a routine task.\footnote{\ Tennyson, \textit{J. Chem. Phys.} \textbf{145}, 120901 (2016).} By employing accurate potential energy ...

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• (International Symposium on Molecular Spectroscopy, 2021-06-23)
The linear propynylidynium $l$-C$_3$H$^+$ ($\text{X}^1\Sigma^+$) is part of the select group of interstellar cations. Its discovery was accompanied by a controversy in the astrophysical community.\footnote{\ Pety~\textit{et ...

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• (International Symposium on Molecular Spectroscopy, 2021-06-23)
We are currently studying the $\tilde{B}$ $^2E'$ -- $\tilde{X}$ $^2A_2'$ system of jet cooled NO$_3$ via laser induced fluorescence (~LIF~) spectroscopy. The dispersed fluorescence (~DF~) spectrum from the vibrationless ...

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• (International Symposium on Molecular Spectroscopy, 2021-06-24)
We introduce a comb-referenced optical spectrometer operating in the long-wavelength (LW) part of the mid-infrared (MIR) region. It is based on an innovative laser source based on difference frequency generation between ...

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• (International Symposium on Molecular Spectroscopy, 2021-06-22)
Doppler-free saturation techniques have revolutionized the precision and resolution of molecular spectroscopy. It sets the standard for improving the accuracy of the level structure of molecules by several orders of ...

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• (International Symposium on Molecular Spectroscopy, 2021-06-22)
The transduction of protons between distinct donor and acceptor sites, as often directed by attendant hydrogen bonds, is a ubiquitous chemical transformation essential for all of acid/base chemistry, yet the role of selective ...

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• (International Symposium on Molecular Spectroscopy, 2021-06-22)
Vibrational modes of the relatively strongly bound H$_2$He$^+$ molecular ion and its deuterated congener D$_2$He$^+$ are investigated by low-resolution multi-photon photodissociation spectroscopy, using a combination of ...

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• (International Symposium on Molecular Spectroscopy, 2021-06-23)
We have proposed that the ro-vibrationally averaged structure of a linear molecule is observed as being bent.''\footnote{T. Hirano, U. Nagashima, P. Jensen, J. Mol. Spectrosc. \textbf{343}, 54 (2018); T. Hirano, U. ...

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• (International Symposium on Molecular Spectroscopy, 2021-06-23)
Effects due to vibronic and spin angular momentum have long been observed in rotationally resolved spectra of Jahn-Teller active molecules. The breakdown of the Born-Oppenheimer approximation in these molecules leads to ...

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• (International Symposium on Molecular Spectroscopy, 2021-06-22)
Group 13 (Al, Ga, and In)-piperidine complexes are produced in a pulsed metal-cluster beam source, observed by time-of-flight mass spectrometry, and characterized with pulsed-field-ionization zero electron kinetic energy ...

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• (International Symposium on Molecular Spectroscopy, 2021-06-23)
The importance of the breakdown of the Born-Oppenheimer (BO) approximation in the vicinity of a conical intersection has spurred the recent development of computational approches that involve vibronic coupling between ...

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• (International Symposium on Molecular Spectroscopy, 2021-06-24)
Absorption of solar radiation by water vapor in the near-UV region is a poorly-understood but important issue in atmospheric science. To better understand water vapor near-UV absorption, we constructed a cavity ring-down ...

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• (International Symposium on Molecular Spectroscopy, 2021-06-25)
Weakly-bound complexes containing aromatic species have been the subject of study for many years. Here, a study of the weakly-bound complexes of selenophene (\ce{C4H4Se}) with water will be presented. In this study, matrix ...

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• (International Symposium on Molecular Spectroscopy, 2021-06-24)
Triacetone triperoxide (TATP) is a known peroxide-based explosive frequently used by terrorists in improvised devices due to its ease of synthesis and detection difficulty. Here we propose microwave spectroscopy as a highly ...

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• (International Symposium on Molecular Spectroscopy, 2021-06-24)
X-rays promote electrons from the core levels to vacant valence orbitals, thus endowing them with a unique element specificity. Moreover, the core level transitions can easily sense the shifts in the electron density in ...

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• (International Symposium on Molecular Spectroscopy, 2021-06-23)
\begin{wrapfigure}{l}{0pt} \includegraphics[scale=0.3]{Figure1.eps} \end{wrapfigure} The K-edge of X-ray absorption near edge structure (XANES) spectra can provide in-situ geometric and electronic information about ...

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