Sharif Digital Repository

Nanomaterials are chemical compounds or substances which are moderately produced and used. Nanomaterials are engineered to reveal novel properties of nanocells that contrast with related non-visible substances, such as expanded consistency, conductivity or synthetic reaction. Topological indexes are quantities related to molecules that capture the harmony of molecular structures and give scientifically related properties, such as: viscosity, boiling point, radius of gravity, and so on. Their demands in genetics, chemistry, physics and nanoscience are infinite. The molecular topology of such compounds would be clarify by the quantitative structure properties relationship (QSPR) and... 

Nanomaterials are chemical compounds or substances which are moderately produced and used. Nanomaterials are engineered to reveal novel properties of nanocells that contrast with related non-visible substances, such as expanded consistency, conductivity or synthetic reaction. Topological indexes are quantities related to molecules that capture the harmony of molecular structures and give scientifically related properties, such as: viscosity, boiling point, radius of gravity, and so on. Their demands in genetics, chemistry, physics and nanoscience are infinite. The molecular topology of such compounds would be clarify by the quantitative structure properties relationship (QSPR) and... 

Thermodynamical optimization for energy conversion system can be performed by decreasing entropy generation. For calculation of entropy, we need to know entropy of ideal gases at 298 K as a reference point. Entropy is a thermodynamic quantity which is not easily measured and prediction of entropy by molecular structures for new designed molecules may be a challenge. An easy and accurate equation for prediction of absolute entropy of pure ideal gas at 298 K was introduced for the first time based on the quantitative structure property relationship (QSPR) approach. Thousand seven hundred pure chemical compounds and 3224 molecular descriptors were used for finding this easy equation by genetic...