We use scanning tunneling microscopy to visualize and thermal desorption spectroscopy to quantitatively measure that the binding of naphthalene molecules to graphene, a case of pure van der Waals interaction, strengthens with n and weakens with p doping of graphene. Density-functional theory calculations that include the van der Waals interaction in a seamless, ab initio way accurately reproduc...

by proposing a predictive method with no adjustable parameter and by using infinite dilution activity coefficients of components in binary mixtures obtained from unifac model, the binary interaction parameters (k12) in van der waals mixing rule (vdwmr) and orbey-sandler mixing rule (osmr) have been evaluated. the predicted binary interaction parameters are used in peng-robinson-stryjek-vera equ...

the internal structure of a molecule can be presented in terms of intra-molecular (i.e., inter atomic)and inter-molecular energies such as van der waals, bond and bending, torsion, and inversion energy.in this study, changes in molecular energies of individual asphalt components are evaluated as afunction of physical aging factors. the factors for physical aging such as temperature and pressure...

BACKGROUND The prediction of ligand binding or protein structure requires very accurate force field potentials - even small errors in force field potentials can make a 'wrong' structure (from the billions possible) more stable than the single, 'correct' one. However, despite huge efforts to optimize them, currently-used all-atom force fields are still not able, in a vast majority of cases, even...

Part 3: (H, PB) Interacting systems, phase transitions and critical phenomena (11 lectures) Interacting spin systems, Ising model. Interacting classical gas, cluster expansion, van der Waals equation of state, Virial Expansion, phase equilibrium, chemical equilibrium. Interacting quantum gases in atom traps. BCS theory of Superconductivity, Landau and Ginzburg Landau theory. Topological excitat...

We discuss a possible form for a theory akin to local density functional theory, but able to produce van der Waals energies in a natural fashion. The usual Local Density Approximation (LDA) for the exchange and correlation energy Exc of an inhomogeneous electronic system can be derived by making a quasilocal approximation for the interacting density-density response function χ(~r, ~r , ω), then...

It has been long recognized that liquids can spread under the action of disjoining pressure. In the case of a liquid attracted to the solid by van der Waals forces, a precursor film is formed, and there is no well-defined contact line that would give rise to the infamous viscous stress singularity. Nevertheless, the problem remains difficult, due to the divergence of both viscous and disjoining...