Related papers: Indirect Interactions Between Proton Donors Separa…
We describe a model of electron transfer reactions affected by local binding to the donor or acceptor sites of a particle in equilibrium with the solution. The statistics of fluctuations of the donor-acceptor energy gap caused by…
On the basis of a previous theoretical approach to the plastic flow of highly refined materials, a physical explanation for diffusion bonding is essayed, which yields closed--form equations relating the bonding progress with time,…
Hydrogen addition and abstraction reactions play an important role as surface reactions in the buildup of complex organic molecules in the dense interstellar medium. Addition reactions allow unsaturated bonds to be fully hydrogenated, while…
The dynamics of water molecules plays a vital role in understanding water. We combined computer simulation and deep learning to study the dynamics of H-bonds between water molecules. Based on ab initio molecular dynamics simulations and a…
The paper is devoted to the dynamics of dissipative gap solitons in the periodically corrugated optical waveguides whose spectrum of linear excitations contains a mode that can be referred to as a quasi-Bound State in the Continuum. These…
In this work a series of analyses are performed on ab initio molecular dynamics (AIMD) simulations of a hydrated excess proton in water to quantify the relative occurrence of concerted hopping events and <span>rattling</span> events, and…
We use computer simulations to study the kinetics and mechanism of proton passage through a narrow-pore carbon-nanotube membrane separating reservoirs of liquid water. Free energy and rate constant calculations show that protons move across…
The dynamics of low-energy proton collisions with hydrocarbon with hydrocarbon molecules are investigated using real-time time-dependent density functional theory. Through systematic variation of proton kinetic energy and impact site on the…
We propose a mechanism allowing the formation of loosely bound molecules of charmed mesons in high energy proton-(anti)proton collisions.
We illustrate the description of correlated subsystems by studying the simple two-body Hydrogen atom. We study the entanglement of the electron and proton coordinates in the exact analytical solution. This entanglement, which we quantify in…
Hydrogen bonds are typically treated as sufficiently localized directional intermolecular bonds, in which dispersion and electrostatic contributions can be distinguished. However, being formed chiefly due to the overlapping of p orbitals of…
It is well known that the supersolid form of matter can arise in a single species of cold bosonic atoms in an optical lattice due to long range interactions. We present a scenario where a supersolid is induced in one of the components of a…
Proton transport (PT) in bulk liquid water and within a thin water-filled carbon nanotube has been examined with ab initio pathintegral molecular dynamics (PIMD). Barrierless proton transfer is observed in each case when quantum nuclear…
We study a driven system in which interaction between particles causes their directional, coupled movement. In that model system, two particles move alternatingly in time on two coupled chains. Without interaction, both particles diffuse…
Various hydrodynamic models of the heliospheric interface have been presented meanwhile, numerically simulating the interaction of the solar wind plasma bubble with the counterstreaming partially ionized interstellar medium. In these model…
Reactivity boundaries that divide the origin and destination of trajectories are crucial of importance to reveal the mechanism of reactions, which was recently found to exist robustly even at high energies for index-one saddles [Phys. Rev.…
We introduce a concept of proton cloud and calculate the radius of the proton cloud of the Hydrogen atom. Then, we estimate the radius of the proton cloud of a Hydrogen atom on highly excited Rydberg states. Based on the size of proton…
Transport of charge carriers can be controlled by doping through chemical and physical means. Unlike chemical doping, physical doping is carried out by a special technique through gate voltages in a field-effect transistor geometry. This…
The modification of two particle correlations within a jet due to its propagation through dense strongly interacting matter is explored. Different properties of the medium may be probed by varying the momentum of the detected hadrons. Very…
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…