The catalytic effect of graphene on the corannulene bowl-to-bowl inversion is confirmed in this paper using a pair-wise dispersion interaction model. In particular, continuum approach together with Lennard-Jones...

The operator Lry = / + Py, whose domain is determined in part by the Stieltjes integral boundary condition Jo dv{i)y{f) = 0, is studied in Xj¡($>, 1), 1 < p < oo. It is shown that Lp has a dense domain; hence there exists a dual operator L* operating on .£¡¡(0,1). After finding LJ we show that both L, and L¡¡ are Fredholm operators. This implies some elementary results concerning the spectrum a...

We report results of calculations of the second through sixth virial coefficients for four prototype Lennard-Jones (LJ) mixtures that have been the subject of previous studies in the literature. Values are reported for temperatures ranging from T=0.6 to T=10.0, where here the temperature is given units of the LJ energy parameter of one of the components. Thermodynamic stability of the mixtures ...

Quark clustering, rather than color super-conducting, could occur in cold quark matter because of the strongly coupling between quarks at realistic baryon densities of compact stars. Although one may still not be able to calculate this conjectured matter from first principles, the inter-cluster interaction might be analogized to the interaction between inert molecules. Cold quark matter would t...

In Chapter 5 we demonstrated that in the case of the Lennard-Jones fluid, the viscosity, pressure and energy exponents are not fixed values. They depend on state point, namely, the temperature and density. We gave the results of simulations for the exponents varying with temperature and density, and we also found that the relationship can be expressed easily by a linear function of both tempera...