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...

Electronic effects were investigated on the singlet–triplet energy gaps of divalent unsaturated seven- membered ring R2C6H6M (M=C, Si, Ge, Sn, Pb, R= –H, -CH3, i-Pr , t-Bu) at B3LYP/6-311++G** level. All the triplet states of R2C6H6C were more stable than the related the singlet states while all the singlet states of R2C6H6M (M= Si, Ge, Sn, Pb, R= –H, -CH3, i-Pr , t-Bu) were more stable than th...

The earlier paper of this same title demonstrated a collapse of relaxation data of fragile supercooled glass forming liquids [J. Phys. Chem. B 2009, 113, 5563-5567]. For temperature T below that of the onset to supercooled behavior, T(o), the logarithm of structural relaxation time, log τ, is given by the parabolic form log(τ/τ(o)) = J(2)(1/T - 1/T(o))(2), where J and τ(o) are temperature-indep...

The variation with respect to temperature T of transport properties of 58 fragile structural glass-forming liquids (67 data sets in total) are analyzed and shown to exhibit a remarkable degree of universality. In particular, super-Arrhenius behaviors of all supercooled liquids appear to collapse to one parabola for which there is no singular behavior at any finite temperature. This behavior is ...

electronic effects were investigated on the singlet–triplet energy gaps of divalent unsaturated seven- membered ring r2c6h6m (m=c, si, ge, sn, pb, r= –h, -ch3, i-pr , t-bu) at b3lyp/6-311++g** level. all the triplet states of r2c6h6c were more stable than the related the singlet states while all the singlet states of r2c6h6m (m= si, ge, sn, pb, r= –h, -ch3, i-pr , t-bu) were more stable than th...

a new simple model is introduced for a liquid and an equation of state is derived based on this model and the statistical mechanical calculations. this equation of state works well for the non-polar and slightly polar liquids. the important conclusion that may be deduced from this equation of state is that if the reduced variables of state are chosen and defined appropriately, then, the princip...