相关论文: Thermal and Vibrationally Activated Decomposition …

Implementation of neuromorphic hardware is a promising way to improve the computing efficiency and decrease the energy consumption of artificial neural networks. For this purpose, electronic elements emulating the behavior of synapses and…

Context. In dffuse interstellar clouds the excitation temperature derived from the lowest levels of H$^+_3$ is systematically lower than that derived from H2. The differences may be attributed to the lack of state-specific formation and…

The product formation channels of ground state carbon atoms, C(3P), reacting with ammonia, NH3, have been investigated using two complementary experiments and electronic structure calculations. Reaction products are detected in a gas flow…

Depending on the volume fraction and interparticle interactions, colloidal suspensions can form different phases, ranging from fluids, crystals, and glasses to gels. For soft microgels that are made from thermoresponsive polymers, the…

We construct the velocity map images of the proton transfer reaction between helium and molecular hydrogen ions H2+. We perform simulations of imaging experiments at one representative total collision energy taking into account the inherent…

Cross sections and thermal rate coefficients are computed for electron-impact dissociative recombination and vibrational excitation/de-excitation of the N$^+_2$ molecular ion in its lowest six vibrational levels, for collision…

Aims: To investigate the chemical relations between complex organics based on their spatial distributions and excitation conditions in the low-mass young stellar objects IRAS 16293-2422 A and B. Methods: Interferometric observations with…

Time-resolved direct frequency comb spectroscopy (TRFCS) was used to study the kinetics of the deuterated analogue of the OH+CO->H+CO2 reaction, which is important for atmospheric and combustion chemistry. Complementing our recent work on…

Electronic decoherence processes in trans-polyacetylene oligomers are considered by explicitly computing the time dependent molecular polarization from the coupled dynamics of electronic and vibrational degrees of freedom in a mean-field…

Vibrational-excitation cross sections of ground electronic state of carbon dioxide molecule by electron-impact through the CO2-(2\Pi) shape resonance is considered in the separation of the normal modes approximation. Resonance curves and…

We calculated reaction rate constants including atom tunneling of the reaction of dihydrogen with the hydroxy radical down to a temperature of 50 K. Instanton theory and canonical variational theory with microcanonical optimized…

The turn-over frequency of the catalytic oxidation of CO at RuO2(110) was calculated as function of temperature and partial pressures using ab initio statistical mechanics. The underlying energetics of the gas-phase molecules, dissociation,…

We report the effect of relaxation-type self-induced temperature oscillations in the system of two parallel plates of SiO$_2$ and VO$_2$ which exchange heat by thermal radiation in vacuum. The non-linear feedback in the self-oscillating…

OH is a cornerstone molecule in the chemistry of interstellar and circumstellar media and is ubiquitously detected in warm gas thanks to its infrared rotational lines. However, the excitation processes of OH remain poorly characterized. We…

We study the components of cool and warm/hot gas in the circumgalactic medium (CGM) of simulated galaxies and address the relative production of OVI by photoionization versus collisional ionization, as a function of halo mass, redshift, and…

The hydroperoxyalkyl radicals (.QOOH) are known to play a significant role in combustion and tropospheric processes, yet their direct spectroscopic detection remains challenging. In this study, we investigate molecular stereo-electronic…

We show that coherence between two excited ro-vibrational states belonging to the same molecular electronic configuration arises quite naturally due to their interaction with electromagnetic vacuum. For initial preparation of a molecule in…

Rate coefficients for state-to-state rotational transitions in CO induced by both para- and ortho-H$_2$ collisions are presented. The results were obtained using the close-coupling method and the coupled-states approximation, with the…

In their paper [Opt. Mater. 24, 333, 2003], Feldman et al conducted an experimental study of the dynamics of chromium ion valence transformations in Cr,Ca:YAG crystals among the trivalent Cr3+ state, and two tetravalent Cr4+ ones, of…

Hydrogen cyanide (HCN) and formaldehyde (H2CO) are key precursors to biomolecules such as nucleobases and amino acids in planetary atmospheres; However, many reactions which produce and destroy these species in atmospheres containing CO2…