The thermal treatment of different inclusion complexes of para-octanoyl calix[4]arene leads to the formation of a guest-free van der Waals nanocapsular structure possessing a remarkable stability caused by the high mobility of alkanoyl arms.

Van der Waals interactions have a fundamental role in biology, physics and chemistry, in particular in the self-assembly and the ensuing function of nanostructured materials. Here we utilize an efficient microscopic method to demonstrate that van der Waals interactions in nanomaterials act at distances greater than typically assumed, and can be characterized by different scaling laws depending ...

In this paper, the transverse vibration of a triple-walled carbon nanotube (TWCNT) conveying fluid flow is studied based on the strain/inertia gradient theory with van der Waals interaction taken into consideration. The nanotube is modelled using Euler-Bernoulli beam model and the Galerkin’s method is employed to obtain the CNT complex valued Eigen-frequencies. The effects of the fluid flow tho...

Van der Waals interactions between flat surfaces in uniaxial anisotropic media are investigated in the nonretarded limit. The main focus is the effect of nonzero tilt between the optical axis and the surface normal on the strength of the van der Waals attraction. General expressions for the van der Waals free energy are derived using the surface mode method and the transfer-matrix formalism. To...

Mining useful information from a large amount of biological data is becoming important, but most data mining research in bioinformatics is limited to molecular sequence data. We have developed a set of algorithms for analyzing hydrogen bond and van der Waals interactions between protein and RNA. Analysis of the most representative set of protein-RNA complexes revealed several interesting observ...

The accurate description of van der Waals forces within density functional theory is currently one of the most active areas of research in computational physics and chemistry. Here we report results on the structural and energetic properties of graphite and hexagonal boron nitride, two layered materials where interlayer binding is dominated by van der Waals forces. Results from several density ...

Cationic porphyrin-anthraquinone hybrids bearing peripheral substituents, either pyridine, imidazole, or pyrazole rings have been investigated for their binding mode to DNA duplexes. The four kinds of DNA duplexes were used, which represent intercalation and groove binding modes. AutoDock 4.2 was used to dock nine hybrid compounds to four DNA duplexes, while monitoring of conformational changes...

Three kinds of molecular complexes based on tetrathiafulvalene (TTF) and dialkylviologens were prepared and their crystal structures elucidated. While TTF-dimethylviologen complex forms a mixed stack arrangement of donors and acceptors in its crystal structure, TTF donors aggregate with long alkyl groups by CH/pi and/or van der Waals interactions in a couple of TTF-heptylviologen complexes.

Thermodynamic consistency test of isothermal vapor-liquid equilibrium (VLE) data of various binary systems containing Carbon dioxide (CO2)/Room temperature ionic liquids (RTILs) have been investigated in wide ranges of pressures in each isotherm precisely. In this paper Generic van der Waals (GvdW) equation of state (EoS) coupled with modified van der Waals Berthelot mixing rule has ...

Reactions of atomic oxygen with complexes containing HCl are investigated and the OH product state distributions are compared to those observed for the corresponding reactions of HCl monomers. In previous studies of reactions of O(P) with HCl and hydrocarbon complexes, rotationally colder OH product state distributions were observed, when compared to the corresponding reactions of monomers. In ...