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

• (International Symposium on Molecular Spectroscopy, 2021-06-23)
\begin{wrapfigure}{|}{0pt} \includegraphics[scale=0.3]{Fig.eps} \end{wrapfigure} Pnicogen bonding emerged as an important interaction as ubiquitous hydrogen bonding, the study of interactions of simple molecular model ...

application/pdf

PDF (183kB)
• (International Symposium on Molecular Spectroscopy, 2021-06-21)
It is well known among spectroscopists that hydrogen has two modifications: para-H$_2$ and ortho-H$_2$. Pure para-H$_2$ can be produced by leading normal'' H$_2$, a 3:1 ortho:para mixture, over a catalyst at low temperature. ...

application/pdf

PDF (1MB)
• (International Symposium on Molecular Spectroscopy, 2021-06-23)
Molecular bending spectra can be broadly categorized into three physical cases, depending on the molecular equilibrium configuration: linear, bent, and nonrigid. We have studied the three cases in detail with an extended ...

application/pdf

PDF (569kB)
• (International Symposium on Molecular Spectroscopy, 2021-06-22)
The electronic structure of CaO is complex due to the large number of low-lying energy states and a multitude of rovibronic interactions among them. Several vibrionic bands of the $A’^{1}\Pi-X^{1}\Sigma^{+}$ CaO have been ...

application/pdf

PDF (242kB)
• (International Symposium on Molecular Spectroscopy, 2021-06-24)
In the last year, a paper was published by our group describing a multi-antenna detection, chirped-pulse Fourier transform microwave (MAD-CP-FTMW) spectrometer. A talk will also be given at this conference regarding this ...

application/pdf

PDF (265kB)
• (International Symposium on Molecular Spectroscopy, 2021-06-24)
Iodine oxides (I$_{x}$O$_{y}$) are atmospherically important due to their high reactivity with ozone. The I$^{-}$ anion has been detected in the atmosphere, along with IO$_{2}$$^{-} and IO_{3}$$^{-}$ however, IO$^{-}$ ...

application/pdf

PDF (3MB)
• (International Symposium on Molecular Spectroscopy, 2021-06-25)
Beryllium is known to be a challenging test for even high level \textit{ab initio} methods due to high electron correlation contributions. There is fundamental interest in understanding how well computational methods can ...

application/pdf

PDF (214kB)
• (International Symposium on Molecular Spectroscopy, 2021-06-25)
Charge-transfer processes, particularly in hydrated iodide and salt clusters, depend sensitively on the chemical environment and number of water molecules solvated around the iodide ion. Studying such charge-transfer ...

application/pdf

PDF (420kB)
• (International Symposium on Molecular Spectroscopy, 2021-06-23)
Highly excited rovibrational states of H$_2$ in the X $^{1}\Sigma_{g}^{+}$ electronic ground state are prepared by two-photon photolysis of H$_2$S [1]. The highest vibrational levels $v=14, J=0-4$, with a dissociation ...

application/pdf

PDF (276kB)
• (International Symposium on Molecular Spectroscopy, 2021-06-24)
\begin{wrapfigure}{r}{0pt} \includegraphics[scale=0.3]{CubanePET.eps} \end{wrapfigure} The Co$_{4}$O$_{4}$ cubane and its oxidized derivatives are molecular models of heterogeneous cobalt-based oxygen evolution reaction ...

application/pdf

PDF (546kB)
• (International Symposium on Molecular Spectroscopy, 2021-06-23)
In ab initio calculations of diatomic spectroscopy, discrete points are typically computed along the potential energy curve. The points are fitted to a continuous function, such as a polynomial, a Morse function, or a ...

application/pdf

PDF (187kB)
• (International Symposium on Molecular Spectroscopy, 2021-06-23)
\begin{wrapfigure}{r}{0pt} \includegraphics[scale=0.85]{polctrl.eps} \end{wrapfigure} Detection of trace amounts of molecules in multi-species mixtures is important for many purposes, ranging from chemical dynamics in ...

application/pdf

PDF (445kB)
• (International Symposium on Molecular Spectroscopy, 2021-06-25)
Localized surface plasmon resonance (LSPR) has offered a unique way to trigger photocatalyzed chemical reactions on nanoscale. 8-Bromoadenine was one of the halogenated nucleobases could be applied in the tumor tissue upon ...

application/pdf

PDF (344kB)
• (International Symposium on Molecular Spectroscopy, 2021-06-21)
Small reactive organic molecules are key intermediates in interstellar chemistry, leading to the formation of biologically-relevant species as stars and planets form. These molecules are identified in space via their ...

application/vnd.openxmlformats-officedocument.presentationml.presentation

Microsoft PowerPoint 2007 (15MB)
• (International Symposium on Molecular Spectroscopy, 2021-06-23)
We have carried out infrared-infrared double-resonance spectroscopy of the 2\nub{3} A$_{1}$ - \nub{3} band of methane. The \nub{3} band transitions are pumped using a 90.5 THz difference-frequency-generation (DFG) source ...

application/pdf

PDF (61kB)
• (International Symposium on Molecular Spectroscopy, 2021-06-23)
Precise measurements of vibrational transition frequencies in the isotopes of molecular hydrogen can provide a sensitive probe of fundamental physics. Because these transitions can be predicted with high-level {\it ...

application/pdf

PDF (145kB)
• (International Symposium on Molecular Spectroscopy, 2021-06-25)
Thiazole (C$_{3}$H$_{3}$NS, C$_{s}$, $\mu$$_{a} = 1.286 D, \mu$$_{b}$ = 0.966 D) is a five-membered aromatic heterocycle containing a 1,3-substituted sulfur and nitrogen. We analyzed the rotational spectra of thiazole ...

application/pdf

PDF (777kB)
• (International Symposium on Molecular Spectroscopy, 2021-06-23)
The hydrogen molecule is an important system for the development of molecular quantum mechanics. In particular, the dissociation energy is a benchmark quantity for ab initio calculations. Latest calculations including ...

application/pdf

PDF (359kB)
• (International Symposium on Molecular Spectroscopy, 2021-06-23)
Few-electron molecules are attractive systems for precision spectroscopy because their properties can be calculated with high accuracy by quantum-chemical methods (1-5). The measurements serve to test theoretical predictions, ...

application/pdf

PDF (2MB)
• (International Symposium on Molecular Spectroscopy, 2021-06-23)
NO LIF/PLIF has been used extensively in visualizing complex structures of turbulent, reactive, and compressible flows. However, its quantitative measurement capability has been historically limited by the uncertainty in ...

application/pdf

PDF (420kB)