相关论文: Observation of quantum capture in an ion-molecule …

The mutual neutralization of H^+ and H^- ions at low collision energies is studied by means of a molecular close-coupling approach. All degrees of freedom are treated at the full quantum level taking into account also the identity of the…

We have measured the reaction of O + H3+ forming OH+ and H2O+. This is one of the key gas-phase astrochemical processes initiating the formation of water molecules in dense molecular clouds. For this work, we have used a novel merged…

$Aims$: We revisit with new augmented accuracy the theoretical dynamics of basic isotope exchange reactions involved in the $^{12}$C/$^{13}$C, $^{16}$O/$^{18}$O, and $^{14}$N/$^{15}$N balance because these reactions have already been…

The paper presents a theoretical study of the dynamics of the H + HCl system on the potential energy surface (PES) of Bian and Werner (Bian, W.; Werner, H. -J., J. Chem. Phys. 2000, 112, 220). A time-dependent wave packet approach was…

The non-adiabatic quantum dynamics of the H+H$_2^+$ $\rightarrow$ H$_2$+ H$^+$ charge transfer reactions, and some isotopic variants, is studied with an accurate wave packet method. A recently developed $3\times$3 diabatic potential model…

The electron capture process was studied for Xe$^{54+}$ colliding with H$_2$ molecules at the internal gas target of the ESR storage ring at GSI, Darmstadt. Cross section values for electron capture into excited projectile states were…

The tunneling reaction H$_2$ + D$^-$ $\rightarrow$ HD + H$^-$ was studied in a recent experimental work at low temperatures (10, 19, and 23~K) by Endres {\it et al.}, Phys. Rev. A {\bf 95}, 022706 (2017). An upper limit of the rate…

The ion-molecule reactions $\text{D}_2^++\text{NH}_3$ and $\text{D}_2^++\text{ND}_3$ are studied at low collision energies ($E_{\text{coll}}$ from zero to $\sim k_\textrm{B}\cdot 50\,\text{K}$), with the $\text{D}_2^+$ ions in the ground…

There has been a long-standing quest to observe chemical reactions at low temperatures where reaction rates and pathways are governed by quantum mechanical effects. So far this field of Quantum Chemistry has been dominated by theory. The…

We study the capture rate in the doublet hyperfine initial state for the muon capture reaction $\mu^- + \,^2{\rm H} \rightarrow \nu_\mu + n + n$ ($\Gamma^D$) and the total capture rate for the reaction $ \mu^- + \,^3{\rm He} \rightarrow…

The reaction A+B --> B is studied when the reactants diffuse in phase space, i.e. their dynamics is described by the Langevin equation. The steady-state rate constants are calculated for both the target (static A and mobile B's) and…

Recent investigations suggest that the neutrino--heated hot bubble between the nascent neutron star and the overlying stellar mantle of a type--II supernova may be the site of the r--process. In the preceding $\alpha$--process building up…

The formation of positive ions of antihydrogen $\bar{\rm{H}}^+$ via the three body reaction (i) $\rm{e}^+ + \rm{e}^- + \bar{\rm{H}} \rightarrow \rm{e}^- + \bar{\rm{H}}^+$ is considered. In reaction (i), free positrons $\rm{e}^+$ are…

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…

We report the observation of charge-exchange collisions between trapped calcium monohydride molecular ions ($^{40}$CaH$^+$) and ultracold potassium atoms ($^{39}$K) in a hybrid ion-atom trap. The measured charge-exchange rate coefficient is…

The atmospheric reaction of H$_2$S with Cl has been reinvestigated to check if, as previously suggested, only explicit dynamical computations can lead to an accurate evaluation of the reaction rate because of strong recrossing effects and…

Light-assisted reactive collisions between laser-cooled Ba+ ions and Rb atoms were studied in an ion-atom hybrid trap. The reaction rate was found to strongly depend on the electronic state of the reaction partners with the largest rate…

Using state-of-the-art ab initio interaction-induced dipole and potential-energy surfaces for hydrogen-helium (H2-He) pairs, we compute the rototranslational collision-induced absorption coefficient at 40-400 K for frequencies covering…

A theoretical method for the estimation of cross sections and rates for excitation and charge transfer processes in low-energy hydrogen atom collisions with neutral atoms, based on an asymptotic two-electron model of ionic-covalent…

This study reports the results of an experimental and theoretical investigation of the N(2D) + H2 and N(2D) + D2 reactions at room temperature and below. On the experimental side, a supersonic flow (Laval nozzle) reactor was employed to…