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It is well known that the Solar System is presently moving through a partially ionized local interstellar medium. This gives rise to a counter-flow situation requiring a consistent description of behaviour of the two fluids -- ions and…
Halogen bonding has emerged as an important noncovalent interaction in a myriad of applications, including drug design, supramolecular assembly, and catalysis. Current understanding of the halogen bond is informed by electronic structure…
Double parton scattering events are directly sensitive to the correlations between two partons inside a proton and can answer fundamental questions on the connections between the proton constituents. In this chapter, the different types of…
At low concentrations of methanol in ethanol-methanol binary system, the molecular interactions are seen to be uniquely complex. It is observed that the ethanol aggregates are not strictly hydrogen-bonded complexes; dispersion forces also…
The process of protons transport in molecular water chains is of fundamental interest for many biological systems. Although many features of such systems can be analyzed using large-scale computational modeling, other features are better…
The study is devoted to development of the theory of the heteroatom influence in acyclic polyenes from a local perspective. The charge redistribution due to introduction of heteroatom(s) (X) is decomposed into additive and meaningful…
Halogen bonding (X-bonding) has attracted notable attention among noncovalent interactions. This highly directional attraction between a halogen atom and an electron donor has been exploited in knowledge-based drug design. A great deal of…
We present the results of the modeling of proton translocation in finite H-bonded chains in the framework of two-stage proton transport model. We explore the influence of reorientation motion of protons, as well as the effect of electric…
The interaction of streamers in nitrogen-oxygen mixtures such as air is studied. First, an efficient method for fully three-dimensional streamer simulations in multiprocessor machines is introduced. With its help, we find two competing…
Vesicle fusion is an important process underlying cell division, transport, and membrane trafficking. In phospholipid systems, a range of fusogens including divalent cations and depletants have been shown to induce adhesion, hemifusion, and…
In the study of multiple scattering of partons in hadron-hadron collisions the possibility of a hard inelastic process at the parton level is included in its simplest possible way, $i.e.$ including the $2 \to 3$ transition. The specific…
Proton-proton correlations from spectator decays following Au + Au collisions at 1000 AMeV have been measured with an highly efficient detector hodoscope. The constructed correlation functions indicate a moderate expansion and low breakup…
We consider the dispersion interaction between two ground-state hydrogen atoms, interacting with the quantum electromagnetic field in the vacuum state, in the presence of an external static electric field, both in the nonretarded and in the…
In this work, we propose a tool to reveal the origin of the collective-like phenomena observed in proton--proton collisions. We exploit the fundamental difference between the underlying mechanisms, color reconnection (CR) and hydrodynamics,…
This comprehensive study delves into the intricate interplay between protons and organic polymers, offering insights into proton therapy in cancer treatment. Focusing on the influence of the spatial electron density distribution on stopping…
Double parton scattering (DPS) has become very relevant as a background to interesting analyses performed by the experiments at the LHC. It encodes knowledge of correlations between the proton constituents not accessible in single parton…
Enhanced proton-neutron interactions occur in heavy nuclei along a trajectory of approximately equal numbers of valence protons and neutrons. This is also closely aligned with the trajectory of the saturation of quadrupole deformation. The…
Intense "blue-green" phosphorescence is commonly observed in near colourless lab-grown high-pressure high-temperature (HPHT) diamonds following optical excitation at or above the indirect bandgap. We have employed a holistic combination of…
This work addresses nucleation rates in systems with strong initial recombination. Initial (or `geminate') recombination is a process where a dissociated structure (anion, vortex, kink etc.) recombines with its twin brother (cation,…
Palladium (Pd) catalysts have been extensively studied for the direct synthesis of H2O through the hydrogen oxidation reaction at ambient conditions. This heterogeneous catalytic reaction not only holds considerable practical significance…