Related papers: Do Water Molecules Always Stabilize Resonances? Mi…
We have investigated the impact of microsolvation on the shape resonance states of nucleobases, taking cytosine as a case study. To characterize the resonance position and decay width of the metastable states, we employed the newly…
We have studied the effect of microhydration on the shape resonances of uracil nucleobase. The resonance parameters were determined using the resonance via Pad\'e approach along with the efficient wave function-based EA-EOM-DLPNO-CCSD…
In this work, we investigated the influence of base pairing and {\pi}-{\pi} stacking interactions on electron attachment induced shape resonances in the adenine-thymine (AT) base pair. Resonance positions and widths are computed using a…
A combination of the temporally and spatially resolved phonon spectroscopy has enabled calibration of hydrogen bond transition from the vibration mode of heavy water to the core/shelled nanodroplet and the subnanosized ionic hydration shell…
Inspired by the recent experimental signatures of relativistic hydrodynamics in graphene, we investigate theoretically the behavior of hydrodynamic sound modes in such quasi-relativistic fluids near charge neutrality, within linear…
Water clusters are known to form through hydrogen bonding. However, this study shows that the formation of very small water clusters significantly deviates from this mechanism and instead involves both hydrogen bonding and electron…
Water hydrating phospholipid membranes determine their stability and function, as well as their interaction with other molecules. In this article we study, using all-atom molecular dynamics simulations, the rotational and translational…
The incorporation of nanosilica in cementitious systems helps in accelerating the cement hydration process and early-stage formation of the main hydration product, that is, calcium silicate hydrate. Nanosilica reacts with the other key…
We numerically explore how the subhalo mass-loss evolution is affected by the tidal coherences measured along different eigenvector directions. The mean virial-to-accretion mass ratios of the subhalos are used to quantify the severity of…
We present 3D magnetohydrodynamic (MHD) numerical simulations of the evolution of self--gravitating and weakly magnetized disks with an adiabatic equation of state. Such disks are subject to the development of both the magnetorotational and…
Phonon localization is a phenomenon that influences numerous material properties in condensed matter physics. Anderson localization brings rise to localized atomic-scale phonon interferences in disordered lattices with an influence limited…
Nanoscale confinement of molecules in a fluid can result in enhanced viscosity, local fluidic order, or collective motion. Confinement also affects ion transport and/or the rate and equilibrium concentration in a chemical reaction, all of…
Water is vital for life, and without it biomolecules and cells cannot maintain their structures and functions. The remarkable properties of water originate from its ability to form hydrogen-bonding networks and dynamics, which the…
The results of electronic structure calculations for a variety of palladium hydrides are presented. The calculations are based on density functional theory and used different local and semilocal approximations. The thermodynamic stability…
In this work, the effects of finite size on the determination of the three-phase coexistence temperature ($T_3$) of carbon dioxide (CO$_2$) hydrate have been studied by molecular dynamic simulations and using the direct coexistence…
This letter discusses rotating magnetohydrodynamics (MHD) of a thin layer of astrophysical plasma. To describe a thin plasma layer with a free surface in a vertical external magnetic field we use the shallow water ap- proximation. The…
A self-control mechanism that stabilizes the size of Rhodamine B-doped water microdroplets standing on a superhydrophobic surface is demonstrated. The mechanism relies on the interplay between the condensation rate that was kept constant…
The three-dimensional nature of plasmoid instabilities is studied using the reduced magnetohydrodynamic equations. For a Harris equilibrium with guide field, represented by $\vc{B}_o = B_{po} \tanh (x/\lambda) \hat{y} + B_{zo} \hat{z}$, a…
An exact method to compute the entire equilibrium reduced density matrix for systems characterized by a system-bath Hamiltonian is presented. The approach is based upon a stochastic unraveling of the influence functional that appears in the…
This paper focuses on the global stability of the 3D magneto-micropolar equations with partial viscosity in the torus $\mathbb T^3$. We first establish the global stability and exponential decay for the 3D magneto-micropolar equations with…