polycyclic aromatic hydrocarbon (pah) plays an important role in the formation of combustion-generatedparticles such as soot, and their presence in atmosphere aerosols has been widely shown. the formation of five-membered rings, detected in combustion effluent, is of great interest due to their genotoxic activity.the present study reports an investigation of the electronic structure of acenapht...

The standard enthalpy of formation of 1115 compounds from all chemical groups, were predicted using genetic algorithm-based multivariate linear regression (GAMLR). The obtained multivariate linear five descriptors model by GA-MLR has correlation coefficient ( 9830 . 0 2 = R ). All molecular descriptors which have entered in this model are calculated from chemical structure of any molecule. As a...

In the present work, the solidification process was simulated in both macroscopic and microscopic scales. Two-dimensional heat transfer equation for conduction was applied for macroscopic modeling using enthalpy formulation and finite element method. In order to decrease execution time and/or memory capacity in finite analysis, skyline mathematical technique was adapted. The microenthalpy metho...

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...