相关论文: Thermal and Vibrationally Activated Decomposition …
We present a rigorous study of vibrational relaxation in p-H2 + p-H2 collisions at cold and ultracold temperatures and identify an efficient mechanism of ro-vibrational energy transfer. If the colliding molecules are in different rotational…
The hydronium cation plays a crucial role in interstellar oxygen and water chemistry. While its spectroscopy was extensively investigated earlier, the collisional excitation of H$_3$O$^+$ is not well studied yet. In this work we present…
Thermal dissociation and recombination of molecular hydrogen, H_2, in the atmospheres of ultra-hot Jupiters (UHJs) has been shown to play an important role in global heat redistribution. This, in turn, significantly impacts their planetary…
The rate constants for the formation, destruction, and collisional excitation of SH$^+$ are calculated from quantum mechanical approaches using two new SH$_2^+$ potential energy surfaces (PESs) of $^4A''$ and $^2A''$ electronic symmetry.…
We use the time-independent quantum-mechanical formulation of reactive collisions in order to investigate the state-to-state $\mathrm{H}^+ + \mathrm{HD} \to \mathrm{D}^+ + \mathrm{H}_2$ chemical reaction. We compute cross sections for…
The first excited torsional state of the chiral molecule propylene oxide, $\mathrm{CH_{3}C_{2}H_{3}O}$, is investigated from millimeter up to sub-millimeter wavelengths (75-950 GHz). The first excited vibrational mode of propylene oxide,…
A full set of vibrationally-resolved cross sections for electron impact excitation of NO(X2{\Pi}, v) molecules is calculated from ab initio molecular dynamics, in the framework of the local-complex-potential approach. Electron-vibration…
Context. The chemistry of the diffuse interstellar medium rests upon three pillars: exothermic ion-neutral reactions (" cold chemistry "), endothermic neutral-neutral reactions with significant activation barriers (" warm chemistry "), and…
New laboratory data of CH$_2$CHCN (vinyl cyanide) in its ground and vibrationally excited states at the microwave to THz domain allow searching for these excited state transitions in the Orion-KL line survey. Frequency-modulated…
We present a theoretical study on pattern formation occurring in miscible fluids reacting by a second-order reaction $A + B \to S$ in a vertical Hele-Shaw cell under constant gravity. We have recently reported that concentration-dependent…
Hydrogenation reactions of CO in inter- and circumstellar ices are regarded as an important starting point in the formation of more complex species. Previous laboratory measurements by two groups on the hydrogenation of CO ices resulted in…
Vanadium dioxide is a complex oxide material, which shows large resistivity and optical reflectance change while transitioning from the insulator to metal phase at ~68 {\deg}C. In this work, we use a modified atmospheric thermal oxidation…
Ethanol (CH$_3$CH$_2$OH) is a relatively common molecule, often found in star forming regions. Recent studies suggest that it could be a parent molecule of several so-called interstellar complex organic molecules (iCOMs). Yet, the formation…
We present results of extensive computer simulations and theoretical analysis of vibrational phase relaxation of a nitrogen molecule along the critical isochore and also along the gas-liquid coexistence. The simulation includes all the…
Utilization of liquid fuels is crucial to enabling commercialization of rotating detonation engines in the near future. In this study, Eulerian-Lagrangian simulations are conducted for rotating detonative combustion with dilute n-heptane…
We present an experimental study of thermally activated flux creep in a superconducting ring-shaped epitaxial YBCO film as well as a new way of analyzing the experimental data. The measurements were made in a wide range of temperatures…
We recently reported the first identification of rotational transitions of methyl formate (HCOOCH$_{3}$) in the second torsionally excited state toward Orion Kleinmann-Low (KL) observed with the Nobeyama 45 m telescope. In combination with…
A microscopic model for thermal excitation of vibrational ground state of a molecule interacting with a condensed medium is developed. The master equation for evolution of occupancies of the vibrational levels is derived. The rate constant…
Non-equilibrium vibrational dissociation of CO$_2$ at low translational-rotational temperatures $T$ is investigated computationally for conditions of microwave induced plasmas. Semi-analytic treatment of vibrational relaxation in CO$_2$ in…
Through a combination of rheological characterization and temperature-variable imaging methods, a novel gelation pathway in dilute solutions of a semiconducting polymer to achieve interconnected, crystalline networks with hierarchical…