Related papers: Towards Quantitative Reaction Dynamics of O3
"Hot atoms", which are atoms in their excited states, transfer their energy to the surrounding atmosphere through collisions. This process of energy transfer is known as thermalization, and it plays a crucial role in various astrophysical…
Reactions involving atomic carbon in its ground electronic state, C(3P), play an important role in astrochemistry due to high C-atom abundance levels. Here we performed a kinetic investigation of the reaction between C(3P) and acetaldehyde,…
The radiative capture cross sections of $^{12}$C($\alpha$,$\gamma$)$^{16}$O and derived reaction rates are calculated from the direct capture potential model. The resulting $S$-factor at low energies is found to be dominated by $E$2…
The reaction between atomic carbon in its ground electronic state, C(3P), and nitrous oxide, N2O, has been studied below room temperature due to its potential importance for astrochemistry, with both species considered to be present at high…
A three-dimensional weak coupling BCS model with an {\it anisotropic} pairing interaction in momentum space is reported. It exhibits an anisotropic gap in accord with recent experimental observations for high-$T_c$ oxides. The gap ratio ${2…
Nuclear reaction rates in plasmas depend on the overlap (contact) probability of the reacting ions. Path integral Monte Carlo (PIMC) calculations are used here to determine these contact probabilities, g(0), for the one component plasma…
A first principles study of the dynamics of $^6$Li($^{2}$S) + $^6$Li$^{174}$Yb($^2\Sigma^+$)$ \to ^6$Li$_2(^1\Sigma^+$) + $^{174}$Yb($^1$S) reaction is presented at cold and ultracold temperatures. The computations involve determination and…
The kinetics of the reactions of nitrogen dioxide, NO$_2$, with atomic oxygen and atomic carbon in their ground triplet states ($^3$P) have been studied at room temperature and below using a supersonic flow (Laval nozzle) reactor. O($^3$P)…
We are proposing a new computational thermochemistry protocol denoted W3 theory, as a successor to W1 and W2 theory proposed earlier [Martin and De Oliveira, J. Chem. Phys. 111, 1843 (1999)]. The new method is both more accurate overall…
The formation of $\mbox{O}_2$ by radiative association and by inverse predissociation of ground state oxygen atoms is studied using quantum-mechanical methods. Cross sections, emission spectra, and rate coefficients are presented and…
The energy dependence of the rates of the reactions between He$^+$ and ammonia (NY$_3$, Y= {H,D}), forming NY$_2^+$, Y and He as well as NY$^+$, Y$_2$ and He, and the corresponding product branching ratios have been measured at low…
We report on a study of cold reactive collisions between sympathetically-cooled molecular ions and laser-cooled atoms in an ion-atom hybrid trap. Chemical reactions were studied at average collision energies <Ecoll>/k > 20 mK, about two…
Recent studies of neutral gas-phase reactions characterized by barriers show that certain complex forming processes involving light atoms are enhanced by quantum mechanical tunneling at low temperature. Here, we performed kinetic…
Atomic oxygen in its first excited singlet state, O(1 D), is an important species in the photochemistry of several planetary atmospheres and has been predicted to be a potentially important reactive species on interstellar ices. Here, we…
At non-zero temperature and when a system has low-lying excited electronic states, the ground-state Born--Oppenheimer approximation breaks down and the low-lying electronic states are involved in any chemical process. In this work, we use a…
We report a study of cold charge-transfer (CT) collisions of Rb atoms with N$_2^+$ and O$_2^+$ ions in the mK regime using a dynamic ion-neutral hybrid trapping experiment. State- and collision-energy- dependent reaction rate coefficients…
We employ an accurate, ab initio potential energy surface (PES) which describes the electronic interaction energy between the molecular anion OH$^-$ ($^1\Sigma^+$) and the neutral rubidium atom Rb ($^2S$), to evaluate the elastic and…
We discuss the formation of molecular oxygen in ultracold collisions between hydroxyl radicals and atomic oxygen. A time-independent quantum formalism based on hyperspherical coordinates is employed for the calculations. Elastic, inelastic…
A fundamental question in the study of chemical reactions is how reactions proceed at a collision energy close to absolute zero. This question is no longer hypothetical: quantum degenerate gases of atoms and molecules can now be created at…
Our knowledge about the "cold" Universe often relies on molecular spectra. A general property of such spectra is that the energy level populations are rarely at local thermodynamic equilibrium. Solving the radiative transfer thus requires…