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The diverse combinations of novel building blocks offer a vast design space for hydrogen-boned frameworks (HOFs), rendering it a great promise for gas separation and purification. However, the underlying separation mechanism facilitated by…
We look for a simple analytic model to distinguish between stellar clusters undergoing a bimodal hydrodynamic solution from those able to drive only a stationary wind. Clusters in the bimodal regime undergo strong radiative cooling within…
Only a few weakly-bound complexes containing the O2 molecule have been characterized by high resolution spectroscopy, no doubt due to the complications added by the oxygen molecule's unpaired electron spin. Here we report an extensive…
Hypothesis:Diffusion in confinement is an important fundamental problem with significant implications for applications of supported liquid phases. However, resolving the spatially dependent diffusion coefficient, parallel and perpendicular…
(Abridged) Water is a key tracer of dynamics and chemistry in low-mass protostars, but spectrally resolved observations have so far been limited in sensitivity and angular resolution. In this first systematic survey of spectrally resolved…
We investigate the Hierarchical Gravitational Fragmentation scenario through numerical simulations of the prestellar stages of the collapse of a marginally gravitationally unstable isothermal sphere immersed in a strongly gravitationally…
IRAS 16293-2422 is a well studied low-mass protostar characterized by a strong level of deuterium fractionation. In the line of sight of the protostellar envelope, an additional absorption layer, rich in singly and doubly deuterated water…
Adiabatic mixed quantum/classical molecular dynamics simulations were used to generate snapshots of the hydrated electron (e-) in liquid water at 300 K. Water cluster anions that include two complete solvation shells centered on the e- were…
Using cold bosonic atoms with two (hyperfine) ground states, we introduce a spin-boson mixture which allows to implement the quantum Ising model in a tunable dissipative environment. The first specie lies in a deep optical lattice with…
Ionic liquids (ILs) feature a tailorable and wide range of structural, chemical and electronic properties that make this class of materials suitable to a broad variety of forefront applications in next-generation electronics. Yet, their…
AIMS: We investigate the environment of the infrared dust bubble N65 and search for evidence of triggered star formation in its surroundings. METHODS: We performed a multiwavelength study of the region around N65 with data taken from…
We have constructed three-dimensional models for the equilibrium abundance of molecular hydrogen within diffuse interstellar clouds of arbitrary geometry that are illuminated by ultraviolet radiation. The position-dependent photo-…
Via hydrodynamics preserving molecular dynamics simulations we study growth phenomena in a phase separating symmetric binary mixture model. We quench high-temperature homogeneous configurations to state points inside the miscibility gap,…
A two-electron one-dimensional model of a heteroatomic molecule composed of two open-shell atoms is considered. Including only two electrons isolates and examines the effect that the highest occupied molecular orbital has on the Kohn-Sham…
Water is essential for life and technological applications, mainly for its unique thermodynamic and dynamic properties, often anomalous or counterintuitive. These anomalies result from the hydrogen-bonds fluctuations, as evidenced by…
We present a microscopic quantum analysis for rotational constants of the OCS-H$_2$ complex in helium droplets using the local two-fluid theory in conjunction with path integral Monte Carlo simulations. Rotational constants are derived from…
The guiding conception of vortex-condensation-driven Mott insulating behavior is central to the theory of the nodal liquid. We amplify our earlier description of this idea and show how vortex condensation in 2D electronic systems is a…
The stationary nonempirical simulations of Na+(H2O)n clusters with n in a range of 28 to 51 carried out at the density functional level with a hybrid B3LYP functional and the Born-Oppenheimer molecular dynamics modeling of the size selected…
We investigate the fate of a one-dimensional lattice superfluid formed by hard-core bosons, aka `atoms' (alternatively, a free spinless Fermi sea) subjected to nearest-neighbor attractive Hubbard-like interactions only in subgroups of two…
The studies of a number of systems treated in terms of an inhomogeneous (spatially separated) Fermi-Bose mixture with superconducting clusters or droplets of the order parameter in a host medium with unpaired normal states are reviewed. A…