Related papers: Towards Quantitative Reaction Dynamics of O3
Astrochemical surface reactions are thought to be responsible for the formation of complex organic molecules, which are of potential importance for the origin of life. In a situation, when the chemical composition of dust surfaces is not…
We consider the role of quantum effects in the transfer of hyrogen-like species in enzyme-catalysed reactions. This study is stimulated by claims that the observed magnitude and temperature dependence of kinetic isotope effects imply that…
We analyze reactive collisions of a single Ba$^+$ ion in contact with an ultracold gas of Rb atoms at low three-body collision energies of 2.2(9) mK$\times k_{\mathrm{B}}$. Mapping out the Ba$^+$ loss rate dependence on the Rb atom density…
We present a study on ion-atom-atom reaction A+A+B$^+$ in a wide range of systems and collision energies ranging from 100$~\mu$K to 10$^5~$K, analyzing the two possible products: molecules and molecular ions. The dynamics is performed via a…
Absorbing UV radiation, ozone protects life on Earth and plays a fundamental role in Earth's temperature balance. The formation of ozone occurs through the ternary recombination reaction: O$_2$+O+M $\rightarrow$ O$_3$+M, where M can be…
Quantum phase transitions occur at zero temperature, when the ground state of a Hamiltonian undergoes a qualitative change as a function of a control parameter. We consider a particularly interesting system with competing one-, two- and…
In a recent experiment by Schaetz group \cite{weckesser2021}, the quantum $s$-wave regime has been attained for alkali and alkaline-earth atom-ion combination (Li-Ba$^+$). We investigate possible outcomes from interaction of this ion-atom…
Molecular dynamics calculations of inelastic collisions of atomic oxygen with molecular nitrogen are known to show orders of magnitude discrepancies with experimental results in the range from room temperature to many thousands of degrees…
We theoretically characterize interactions, energetics, and chemical reaction paths in ionic two-body and three-body systems of alkali-metal and alkaline-earth-metal atoms in the context of modern experiments with cold hybrid ion-atom…
As new laser facilities are developed with intensities on the scale of 10^22 - 10^24 W cm^-2 , it becomes ever more important to understand the effect of strong field quantum electrodynamics processes, such as quantum radiation reaction,…
The decomposition and chemical dynamics for vibrationally excited syn-CH$_3$CHOO is followed based on statistically significant numbers of molecular dynamics simulations. Using a neural network-based reactive potential energy surface,…
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…
We consider several nuclear fusion reactions that take place at the center of the sun, which are omitted in the standard pp-chain model. More specifically the reaction rates of the nonradiative production of ^3He, ^7Be, and ^8B nuclei in…
An analysis of the effects of meson exchange and isobar currents in exclusive (e,e'p) processes from O-16 under quasi-free kinematics is presented. A model that has probed its feasibility for inclusive quasi-elastic (e,e') processes is…
We study an excited atom-polar molecular ion chemical reaction (Ca$^*$ + BaCl$^+$) at low temperature by utilizing a hybrid atom-ion trapping system. The reaction rate and product branching fractions are measured and compared to model…
Temperature dependence of the thermal rate constants and kinetic isotope effects (KIE) of the CN + C2H6 gas-phase hydrogen abstraction reaction was theoretically determined within the 25-1000 K temperature range, i.e., from ultra-low to…
We present results for the $p p \to p p \omega$ reaction studied by considering two different scenarios: with and without the inclusion of nucleon resonance excitations. The recently measured angular distribution by the COSY-TOF…
Detailed quantum chemistry calculations within the multireference configuration interaction approximation with the Davidson correction (MRCI+Q) are presented using an aug-cc-pV6Z basis set, for the potential energy curves and transition…
An improved Quantum Molecular Dynamics model is proposed. By using this model, the properties of ground state of nuclei from $^{6}$Li to $^{208}$Pb can be described very well with one set of parameters. The fusion reactions for…
We present a theoretical investigation of cold reactive and non-reactive collisions of Li and Rb atoms with C$_{2}^{-}$. The potential energy surfaces for the singlet and triplet states of the Li--C$_{2}^{-}$ and Rb--C$_{2}^{-}$ systems…