相关论文: Hydrogen transfer reactions of interstellar Comple…
We explore molecular cloud properties and the physics of CO transition lines in z >~ 6 Lyman-break galaxies and predict their CO fluxes using an analytic formalism built from global models of star formation in high-redshift galaxies that…
Determining the level of chemical complexity within dense starless and gravitationally bound prestellar cores is crucial for constructing chemical models, which subsequently constrain the initial chemical conditions of star formation. We…
Fine-structure transitions can be involved in various processes including photon absorption, charge transfer and inelastic collision between ions, electrons and neutral atoms. We present fine-structure excitation and relaxation cross…
A rich inventory of complex organic molecules (COMs) has been observed in high abundances in the gas phase toward Class 0 protostars. These molecules are suggested to be formed in ices and sublimate in the warm inner envelope close to the…
Astrophysical models of primordial star formation require rate constants for three-body recombination as input. The current status of these rates for H2 due to collisions with H is far from satisfactory, with published rate constants…
Experimental measurements and theoretical calculations of state-to-state rate coefficients for rotational energy transfer of CO in collision with H$_2$ are reported at the very low temperatures prevailing in dense interstellar clouds (5 -…
Fusion reactions relevant for the carbon and oxygen burning cycles in highly evolved stars are investigated in a standard approach to fusion. We employ the double folding method to evaluate the ion-ion interactions with Gogny-D1 and…
In the framework of a quasi-molecular approach, the formation of hydrogen atom in the pre-recombination period of evolution of the universe is analysed quantitatively. Calculations in an adiabatic multi-level representation enable estimates…
Lyman and Werner band absorption features from interstellar molecular hydrogen in rotational levels J = 0, 1, 2, 3 and 5 were observed in the spectrum of zeta Ori A by the Interstellar Medium Absorption Profile Spectrograph (IMAPS). Most of…
Aim: We present an improved database of temperature dependent rate coefficients for rotational state-to-state transitions in H$_{2}$O + H$_{2}$O collisions. The database includes 231 transitions between the lower $para$- and 210 transitions…
Diffusion of atoms and molecules is a key process for the chemical evolution in the star forming regions of the interstellar medium. Accurate data on the mobility of many important interstellar species is however often not available and…
In order to improve our understanding of the kinetics of the cometary coma, theoretical studies of the major reactive collisions in these environments are needed. Deep in the collisional coma, inelastic collisions between thermal electrons…
(Abridged) Aims & Methods. A two-dimensional, semi-analytical model is presented that follows, for the first time, the chemical evolution from a collapsing molecular cloud (a pre-stellar core) to a protostar and circumstellar disk. The…
We study the ring-opening decomposition of ethylene carbonate in the presence of a single lithium atom and on the surface of lithium metal. Combining accurate electronic structure theory, enhanced sampling, and machine learning, we…
The radicals HCO and CH$_3$ on carbon monoxide ice surfaces were simulated using density functional theory. Their binding energy on amorphous CO ice shows broad distributions, with approximative average values of 500 K for HCO and 200 K for…
We compare numerical methods for solving the radiative transfer equation in the context of the photoionization of intergalactic gaseous hydrogen and helium by a central radiating source. Direct integration of the radiative transfer equation…
We investigate the relative efficiencies of low-temperature chemical reactions in the Interstellar medium (ISM) with H$^-$ anion reacting in the gas phase with cyanopolyyne neutral molecules, leading to the formation of anionic C$_x$N$^-$…
Formation of interstellar complex organic molecules is currently thought to be dominated by the barrierless coupling between radicals on the interstellar icy grain surfaces. Previous standard DFT results on the reactivity between CH$_3$ and…
39 detailed mechanisms for combustion of hydrogen, carbon monoxide and methanol are investigated using ReactionKinetics, a Mathematica based package. The obtained results in most cases do not depend on the choice of reaction rate…
We report in this review recent fully-quantum time-independent calculations of cross sections and rate constants for the gas phase ortho-to-para conversion of H$_2$ by H and H$^+$. Such processes are of crucial interest and importance in…