an inversion procedure is used to obtain from the extended principle of corresponding - states the pair interaction potentials for argon, krypton and its mixture over a tetnperature range from absolute zero to the onset of ionization. the experimentally-reduced viscosity collision integrals obtained from the corresponding - states correlation have been inverted directly to give the reduced-inte...

most of the biological phenomena are influenced by intermolecular recognition and interaction. thus, understanding the thermodynamics of biomacromolecule ligand interaction is a very interesting area in biochemistry and biotechnology. one of the most powerful techniques to obtain precise information about the energetics of (bio) molecules binding to other biological macromolecules is isothermal...

The noncovalent intermolecular interaction of Helium, Neon and Argon with naphthalene is investigated for selected dimer configurations by means electronic structure calculations at the MP2C level theory exploiting complete basis set extrapolation techniques. An analytical formulation global potentials, based on simple efficient atom–atom expressions, also provided optimizing few physically mea...

•Structural tuning of inorganic nanoparticles is realized in an indirect manner•Intermolecular interaction determines the core structure nanoparticles•Reversible isomerization metal nanoclusters solution•Rigid surface-adsorption layer molecules triggers process The atomic-packing mode inner greatly influences their physical and chemical properties. Current strategies for customizing usually inv...

In this paper, the hydrogen bonding (HB) effects on the NMR chemical shifts of selected atoms in serineand serine-nH2O complexes (from one to ten water molecules) have been investigated with quantummechanical calculations of the 15N and 13C tensors. Interaction with water molecules causes importantchanges in geometry and electronic structure of serine.For the compound studied, the most importan...

Scanning tunneling microscopy is used to study the structure of monolayers of tris{2,5-bis(3,5-bistrifluoromethyl-phenyl)-thieno}[3,4-b,h,n]-1,4,5,8,9,12-hexaaza-triphenylene adsorbed on a clean Ag(110) single-crystal surface. The molecules adsorb flat on the surface, forming two-dimensional islands within which intermolecular interactions constrain the molecules to form rows of molecular pairs...