Related papers: The role of steric effects on hydrogen atom transf…
The quantum motions of hydrogen (H) atoms play an important role in the dynamical properties and functionalities of condensed phase materials as well as biological systems. In this work, based on the transfer matrix method and…
Electron transfer organic reaction rates are considered employing the classic physical picture of Marcus wherein the heats of reaction are deposited as the energy of low frequency mechanical oscillations of reconfigured molecular positions.…
Resonant transfer of energy between excited states in a system of two semiconductor quantum dots is studied theoretically. The model Hamiltonian has been formulated, which allowed describe the impact on the dynamics of the resonant laser…
Rate constants for the charge transfer reaction between N${}_{2}$H${}^{+}$ and Rb in the mK regime are measured in an ion-atom hybrid trap and are found to be lower than the Langevin capture limit. Multireference ab initio computation of…
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…
Electron Transfer (ET) reactions are modeled by the dynamics of a quantum two-level system (representing the electronic state) coupled to a thermalized bath of classical harmonic oscillators (representing the nuclei degrees of freedom).…
The onset of retardation effects in atom-wall interactions is studied. It is shown that the transition range from the 1/z^3 short-range (van der Waals) interaction to the 1/z^4 long-range (Casimir) retarded interaction critically depends on…
We apply quantum rate theory to calculate the transition rates as hydrogen or deuterium atoms escape from a vacancy trap in iron into a neighbouring metastable site. We determine transition rates and corresponding activation energies over a…
Radical recombination has been proposed to lead to the formation of complex organic molecules (COMs) in CO-rich ices in the early stages of star formation. These COMs can then undergo hydrogen addition and abstraction reactions leading to a…
This work inspects the thermally activated transfer of solute particles across the interface between two interstitial solid solution phases that equilibrate internally by fast diffusion on conserved arrays of sites. When each phase is…
Transfer reactions are an important tool in nuclear astrophysics. These reactions allow us to identify states in nuclei and to find the corresponding energies, to determine if these states can contribute to astrophysical nuclear reactions…
Quantum mechanical tunneling of atoms is increasingly found to play an important role in many chemical transformations. Experimentally, atom-tunneling can be indirectly detected by temperature-independent rate constants at low temperature…
The low degradability of common polymers composed of light elements, results in a serious impact on the environment, which has become an urgent problem to be solved. As the reverse process of monomer polymerization, what deviates…
Stark transitions and induced annihilation of antiproton in the collisions of antiprotonic helium ions (\bar{p}He^{+2})_{nl} with He atoms at very low energy (~ 10 K) are considered in the framework of quantum coupled-channels method taking…
Molecular structures with multiple donor, bridge, or acceptor units can display quantum interference effects that influence electron and energy transfer (ET and EnT) rates. Recent experiments found a 4- to 5-fold increase in ET rates for…
We consider a multilevel hydrogen atom in interaction with the quantum electromagnetic field and separately calculate the contributions of the vacuum fluctuation and radiation reaction to the rate of change of the mean atomic energy of the…
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…
Some chemical reactions are described by electron transfer (ET) processes. The underlying mechanism could be modeled as a polaron motion in the molecular crystal-the Holstein model. By taking spin degrees of freedom into consideration, we…
We investigate the nuclear Stark effect induced in hydrogen-like atomic nuclei under super-intense laser fields. Since laser wavelengths are generally larger than nuclear dimensions, direct laser-nucleus interaction is unfeasible. Instead,…
The interaction of hydrogen with many transition metal surfaces is characterized by a coexistence of activated with non-activated paths to adsorption with a broad distribution of barrier heights. By performing six-dimensional quantum…