The Dopamine has been studied theoretically at the B3LYP/6-31G* level were performed in gasphase. We calculated physical parameters like atomic charges, energy (=>), asymmetry parameter(?), chemical shift @iso, dipole moment and isotropic NMR determinant and in this work we usedGaussian 03 at NMR and calculation by using B3LYP methods with 6-31G* basis set.

The molecular structure of Cyclophosphamide (N, N-bis(2-chloroethyl)-1,3,2-oxazaphosphinan-2-amine 2-oxide is the anti cancer drug and used to treat cancer and immune diseases) and SWCNTswere calculated by the B3LYP density functional model with 6-311G* basis set with Gaussian 09program. The nanotube used in this study, includes 120 C atoms (5, 5) type. The NBO analysisshowed there is a hyperco...

Canned citrus segments are popularly consumed worldwide with a large global market. However, the production needs chemical treatment to remove segments membranes, producing a large amount of acidic and basic effluents with very high chemical oxygen demand (COD), causing serious environmental problems. This research is focused on the plant scale recovery of pectic polysaccharides from the above ...

Using the exactly solvable Gross-Neveu model as theoretical laboratory, we analyse in detail the relationship between a relativistic quantum field theory at real and imaginary chemical potential. We find that one can retrieve the full information about the phase diagram of the theory from an imaginary chemical potential calculation. The prerequisite is to evaluate and analytically continue the ...

An analysis is performed to study the unsteady flow past an exponentially accelerated infinite vertical plate with variable temperature and uniform mass diffusion, in the presence of a homogeneous chemical reaction of first-order. The plate temperature is raised linearly with time and the concentration level near the plate is raised uniformly. The dimensionless governing equations are solved us...

The effect of variable chemical reaction on heat and mass transfer characteristics over unsteady stretching surface embedded in a porus medium is studied. The governing time dependent boundary layer equations are transformed into ordinary differential equations containing chemical reaction parameter, unsteadiness parameter, Prandtl number and Schmidt number. These equations have been transforme...