the thermodynamic properties of fluids can be predicted using the global equations of state. among these thermodynamic properties of fluids, we choose the densities of the liquid and vapor phases. this paper considers the application of the crossover model to the vapor-liquid rectilinear diameter of sulfurhexafluoride. we also present a comparison of the crossover model equation with the experi...

the fact that the properties of a molecule are tightly connected to its structural  characteristics  is one of the fundamental concepts in chemistry. in this connection,  graph theory has been successfully applied in developing some relationships between topological indices and some thermodynamic properties. so ,  a novel method for computing the new descriptors to construct a quantitative rela...

to improve drug selectivity toward target cells, one interesting approach for drug delivery is to use polymer nanoparticles. a two-layered oniom becke3- lyp: uff calculation was carried out to study the structural and thermodynamic properties of the interaction between acetamide derivatives and the pca-peg-pca copolymers. the interaction enthalpies and the gibbs free energies between acetamide ...

Inclusion complexes of 2-[Arylidenamino]-1,3,4-thiadiazino[6,5b]indoles have been prepared with β-cyclodextrin so as to increase the solubility of these compounds in polar medium which may increase theirbioaccessibility. The formation of inclusion complexes is known from the study of changes in physical andspectral properties of the compounds. The stability of the inclusion complexes has been s...

In this research, the effects of B, O and B&O−doped on the SO2 gas adsorption on the surface of the (4, 4) armchair AlNNTs are investigated by using DFT method. From optimized structures the geometrical and electrical properties, adsorption energy, gap energy, global hardness, electrical potential, HOMO−LUMO orbitals, density of states (DOS) plots, electrostatic potential (ESP) plots and NMR pa...

The main low temperature p r o p e r t i e s of g l a s s e s a r e reviewed and analyzed i n terms of t h e "two l e v e l systemsv model. A new mechanism of i n t e r a c t i o n between f l u o r e s c e n t molecules and f l u c t u a t i n g s t r a i n f i e l d s c rea ted by t h e two l e v e l systems involving t h e concept of e l a s t i c quadrupoles is proposed i n view of exp la i...