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 ...

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 ...

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 ...

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 ...

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 ...

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. ...

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 ...

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 ...

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 ...

\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 ...