Both vibrationally and rotationally resolved spectra of the S, + So transition in jet-cooled triphenylamine (TPA) around 340320 nm are reported. Medium resolutton spectra (0.5-l .O cm-’ resolution) are recorded using ( 1 + 1 )-resonance enhanced multi photon iomzation (REMPI) with mass selective time-of-flight (TOF) detection in a pulsed molecular beam apparatus. The origin ofthe S,+ So transit...

Working at the macroscopic continuum level, we investigate effective van der Waals interactions between two layers within a multilayer assembly. By comparing the pair interactions between two layers with effective pair interactions within an assembly we assess the significant consequences of nonadditivity of van der Waals interactions. This allows us to evaluate the best numerical estimate to d...

The paper presents and illustrates a method which uses numerical integration of the van der Waals envelope(s) to calculate with desired accuracy the molecular van der Waals volume and the three-dimensional molecular shape descriptor defined as the twin-number [OV(a, /?); NOV(/?, a)], where OV and NOV represent the overlapping and, respectively, the nonoverlapping van der Waals volumes of the mo...

In this paper, it is tried to find an approximate single layer equivalent for multi-layer graphene sheets based on third order non-local elasticity theory. The plates are embedded in two parameter Winkler-Pasternak elastic foundation, and also the thermal effects are considered. A uniform transverse load is imposed on the plates. Applying the non-local theory of Eringen based on third order she...

among the intermolecular interactions, the casimir and van der waals forces are the most important forces that highly affect the behavior of nanostructures. this paper studies the effect of such forces on the adhesion of cantilever freestanding nanostructures. the nanostructures are made of a freestanding nano-beam which is suspended between two upper and lower conductive surfaces. the linear s...

a mixing rule for the mixtures of hard-spheres is presented which can be reduced to the standard van der waals mixing rule at low densities. the effectiveness of the mixing rule for the size and energy parameters of lennard-jones fluid are examined by combining them with an equation of state to calculate thermodynamic properties. the results of calculation are compared with the molecular dynami...

2 Different Types of Bonds 7 2.1 Covalent Bonding . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 8 2.2 Ionic Bonding . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 12 2.2.1 Madelung Sums . . . . . . . . . . . . . . . . . . . . . . . . . . 14 2.3 Metallic Bonding . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15 2.4 Van der Waals Bonds . . . . . . . . . . . ....

The derivation of the van der Waals parameters for the aliphatic CH united atoms of the GROMOS96 force field is presented. The parameters n have been adjusted to reproduce the experimental enthalpies of vaporization and vapor pressures or densities of a set of nine alkanes in the liquid state at 298 Ž . K or at the boiling point in the case of methane , using a cutoff radius for the van der Waa...

We study the dependence of the heat transfer and the van der Waals friction between two semi-infinite solids on the dielectric properties of the bodies. We show that the heat transfer and van der Waals friction at short separation between the solids may increase by many orders of magnitude when the surfaces are covered by adsorbates, or can support low-frequency surface plasmons. In this case t...

The van der Waals equation of state for imperfect gases is applied to solutions of macromolecules, especially to explain the fluid-fluid phase transition in protein solutions, a phenomenon of much interest in relation to protein crystallization. The van der Waals b parameter corresponds to the total excluded volume per pair of molecules and can be calculated from independently known molecular p...