相关论文: Equilibrium solvation in quadrupolar solvents

A new optimized quasihelically symmetric configuration is described that has the desir-able properties of improved energetic particle confinement, reduced turbulent transportby 3D shaping, and non-resonant divertor capabilities. The…

The Polarizable Continuum Model (PCM) can be used in conjunction with Density Functional Theory (DFT) and its time-dependent extension (TDDFT) to simulate the electronic and optical properties of molecules and nanoparticles immersed in a…

The cubic nonlinear Helmholtz equation with third and fourth order dispersion and non-Kerr nonlinearity like the self steepening and the self frequency shift is considered. This model describes nonparaxial ultrashort pulse propagation in an…

Quaternion-valued solutions to the non-commutative KdV equation are produced using determinants. The solutions produced in this way are (breather) soliton solutions, rational solutions, spatially periodic solutions and hybrids of these…

In the study of equilibrium solutions for partial differential equations there are so many equilibria that one cannot hope to find them all. Therefore one usually concentrates on finding individual branches of equilibrium solutions. On the…

Metastable structures in macromolecular and colloidal systems are non-equilibrium states that often have long lifetimes and cause difficulties in simulating equilibrium. In order to escape from the long-lived metastable states, we propose a…

We define the "quadrupole ratio" r_{Q}=\dfrac{Q_{0}(S)}{Q_{0}(B)} where Q_{0}(S) is the intrinsic quadrupole moment obtained from the static quadrupole moment of the 2_{1}^{+} state of an even-even nucleus and Q_{0}(B) the intrinsic…

This review describes the theory and implementation of implicit solvation models based on continuum electrostatics. Within quantum chemistry this formalism is sometimes synonymous with the polarizable continuum model, a particular…

We investigate the dynamic structure factor of a system of Bose particles at zero temperature using quantum Monte Carlo methods. Interactions are modeled using a hard-sphere potential of size $a$ and simulations are performed for values of…

We consider a single molecule circuit embedded into solvent. The Born dielectric solvation model is combined with Keldysh nonequilibrium Green's functions to describe the electron transport properties of the system. Depending on the…

The study of noncommutative solitons is greatly facilitated if the field equations are integrable, i.e. result from a linear system. For the example of a modified but integrable U(n) sigma model in 2+1 dimensions we employ the dressing…

Monte Carlo simulation of the charge carrier transport in disordered nonpolar organic materials has been carried out. As a suitable model we considered the model of quadrupolar glass. A general formula for the temperature and field…

Selected theoretical developments in modeling of deposition of submicrometer size (submicron) particles on solid surfaces, with and without surface diffusion, of interest in colloid, polymer, and certain biological systems, are surveyed. We…

Chemically-responsive polymers are macromolecules that respond to local variations of the chemical composition of the solution by changing their conformation, with notable examples including polyelectrolytes, proteins and DNA. The polymer…

Several recent imaging experiments access the equilibrium density profiles of interacting particles confined to a two-dimensional substrate. When these particles are in a fluid phase, we show that such data yields precise information…

This paper deals with the stability analysis of a nonlinear time-delayed dispersive equation of order four. First, we prove the well-posedness of the system and give some regularity results. Then, we show that the zero solution of the…

Experimental measurements of electron transport properties of molecular junctions are often performed in solvents. Solvent-molecule coupling and physical properties of the solvent can be used as the external stimulus to control electric…

We present a microscopic theory of the equilibrium polariton condensate state of a semiconductor quantum well in a planar optical cavity. The theory accounts for the adjustment of matter excitations to the presence of a coherent photon…

The electromagnetic form factors are the most fundamental quantities to describe the internal structure of the nucleon and the shape of a spatially extended particle is determined by its {\it intrinsic} quadrupole moment which is first…

We have recently developed a simulation approach to calculate the equilibrium phase diagram of particle-based microphase formers. Here, this approach is used to calculate the phase behavior of the square-well linear model for different…