The structure and properties of niobapyrimidinium complex were examined by density functionaltheory method (mpw1pw91). The effect of solvent on the structural parameters, frontier orbitalenergies and hyperpolarizability (tot) of this molecule has been explored. The thermodynamicproperties of the title compound at different temperatures have been calculated. Also, the parasubstitutionseffect on ...

the structure and properties of niobapyrimidinium complex were examined by density functionaltheory method (mpw1pw91). the effect of solvent on the structural parameters, frontier orbitalenergies and hyperpolarizability (
tot) of this molecule has been explored. the thermodynamicproperties of the title compound at different temperatures have been calculated. also, the parasubstitutionseffect on...

Thermophysical properties of fluorine are interesting because of its applications in different areas of technologyand industry. The computations of thermodynamic properties were performed with the GMA equation of stateunder critical conditions. The present work reports calculations of density, volumetric, and thermodynamicproperties of liquid fluorine on extended ranges of pressure and temperat...

thermophysical properties of fluorine are interesting because of its applications in different areas of technologyand industry. the computations of thermodynamic properties were performed with the gma equation of stateunder critical conditions. the present work reports calculations of density, volumetric, and thermodynamicproperties of liquid fluorine on extended ranges of pressure and temperat...

An analytical equation of state (EOS) developed by Ihm-Song-Mason (ISM) has been applied tocalculate some thermophysical properties of molten polymers including Poly (1-octene) (PO), Poly (vinylmethyl ether) (PVME), Poly (vinyl chloride) (PVC), and Poly (styrene) (PS). Three temperature-dependentparameters of the ISM EOS have been determined based on the alternative scaling constants, dispersiv...

an analytical equation of state (eos) developed by ihm-song-mason (ism) has been applied tocalculate some thermophysical properties of molten polymers including poly (1-octene) (po), poly (vinylmethyl ether) (pvme), poly (vinyl chloride) (pvc), and poly (styrene) (ps). three temperature-dependentparameters of the ism eos have been determined based on the alternative scaling constants, dispersiv...