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

• (International Symposium on Molecular Spectroscopy, 2021-06-24)
Hybrid organic-inorganic halide perovskites, such as CH$_{3}$NH$_{3}$PbBr$_{3}$ (MAPbBr$_{3}$) have emerged as outstanding light absorbing and emitting materials. MAPbBr$_{3}$ has a bandgap around 2.3 eV and a high open ...

application/pdf

PDF (135kB)
• (International Symposium on Molecular Spectroscopy, 2021-06-22)
Multiply charged diatomic molecules are exotic gas-phase species and require high amounts of energy to be produced. Fundamental questions regarding the structures, stabilities, and bonding schemes of small multiply charged ...

application/pdf

PDF (98kB)
• (International Symposium on Molecular Spectroscopy, 2021-06-24)
\begin{wrapfigure}{l}{0pt} \includegraphics[scale=0.3]{Figure.eps} \end{wrapfigure} Self-assembling of organic chromophoric systems into elegant supramolecular architectures with emergent properties has received prodigious ...

application/pdf

PDF (197kB)
• (International Symposium on Molecular Spectroscopy, 2021-06-22)
Molecules excited by strong-field laser pulses evolve through coupled nuclear and electronic motion over ultrafast timescales. Even simple molecules demonstrate a variety of characteristic dynamics, including vibrations, ...

application/pdf

PDF (559kB)
• (International Symposium on Molecular Spectroscopy, 2021-06-24)
Ultrafast relaxation dynamics of neutral aluminum oxide clusters (Al$_{n}$O$_{m}$, n,m $<=$ 20) in the gas phase were studied by combining two-color femtosecond spectroscopy and time-of-flight mass spectrometry. The clusters ...

application/pdf

PDF (951kB)
• (International Symposium on Molecular Spectroscopy, 2021-06-22)
Li-Hong Xu, Jon Hougen, Isabelle Kleiner, Jens-Uwe Grabow et al. beautifully analyzed ro-vibrational levels in the ground state of acetaldehyde taking CH$_3$-torsion rotation interaction into consideration \footnote{L.-H. ...

application/pdf

PDF (138kB)
• (International Symposium on Molecular Spectroscopy, 2021-06-25)
As most every person at this conference can appreciate, spectroscopy, especially at the undergraduate level, is often considered one of the most difficult subjects to undertake and, due to this mentality, is often avoided ...

application/pdf

PDF (282kB)
• (International Symposium on Molecular Spectroscopy, 2021-06-25)
Photodissociation is an important loss mechanism for atmospheric hydroperoxides (R-O-OH) leading to the production of OH radicals via the rupture of the weak O-O bond. Photodissociation can either occur through electronic ...

application/pdf

PDF (194kB)
• (International Symposium on Molecular Spectroscopy, 2021-06-25)
Solvation of aromatic molecules is a fundamental chemical process. Stability and function of almost all biomolecules are governed by the surface water molecules, typically known as biological water. Despite a plethora of ...

application/pdf

PDF (686kB)
• (International Symposium on Molecular Spectroscopy, 2021-06-22)
Spectral complexity can prove to be a challenge when investigating the rotational spectra of complicated systems and developments in automated fitting tools can reduce the time spent fitting these spectra. In this talk, ...

application/pdf

PDF (116kB)
• (International Symposium on Molecular Spectroscopy, 2021-06-23)
\begin{wrapfigure}{r}{0pt} \includegraphics[scale=0.5]{ISMS_figure99.eps} \end{wrapfigure} Accurate high-temperature methane spectroscopic models are needed to support the discovery and evaluation of methane in hot ...

application/pdf

PDF (513kB)
• (International Symposium on Molecular Spectroscopy, 2021-06-22)
Water plays a vital role in many biological processes like enzyme activity, protein folding-refolding and denaturation. Interfacial water has a significant effect on the protein’s internal structure and dynamics. It is ...

application/pdf

PDF (506kB)
• (International Symposium on Molecular Spectroscopy, 2021-06-24)
Molecular spectroscopy is one of the leading tools to search for the manifestation of New Physics. It can also provide accurate information about the nucleus properties, such as its magnetic moment. The existence of ...

application/pdf

PDF (138kB)
• (International Symposium on Molecular Spectroscopy, 2021-06-25)
Spectroscopy is a fundamental component of physical chemistry courses. To encourage students to take more interest in the critical contributions of spectroscopic properties to the subject, I assign different molecules to ...

application/pdf

PDF (206kB)
• (International Symposium on Molecular Spectroscopy, 2021-06-22)
Nitrobenzene is often used as a model molecule for the study of the dissociation dynamics of nitroaromatic energetic materials. The potential energy surfaces for the ground cationic state D$_0$ and the first ten excited ...

application/pdf

PDF (660kB)
• (International Symposium on Molecular Spectroscopy, 2021-06-25)
In molecular spectroscopy, our models of the molecular world are built on rigorous spectroscopic experimentation and rich interplay between theory and experiment. To instill such appreciation to undergraduate students, who ...

application/pdf

PDF (132kB)
• (International Symposium on Molecular Spectroscopy, 2021-06-25)
Here, a two-color O$_{2}$ vibrational temperature diagnostic was developed by utilizing spectroscopic models to inform optimal wavelength candidates for both a continuous-wave (CW), ultraviolet (UV) laser and a picosecond ...

application/pdf

PDF (249kB)
• (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 ...

application/pdf

PDF (1MB)
• (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 ...

application/pdf

PDF (297kB)
• (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 ...

application/pdf

PDF (308kB)