interaction of meso — tetrakis (p-sulphonato phenyl) porphyrin (hereafter abbreviated to tspp)with na+ has been examined using hf level of theory with 6-31g* basis set. counterpoise (cp)correction has been used to show the extent of the basis set superposition error (bsse) on thepotential energy curves. the numbers of na+ have a significant effect on the calculated potentialenergy curve (includ...

in this letter we have proposed a new regularization scheme to deal with the divergent integralsoccurring in the quantum mechanical problem of calculating the bound state energy of the delta-functionpotential in two and three dimensions. based on the schwinger parameterization technique we argue thatthere are no infinities even in d dimensions. in this way we were able to compare our proposal w...

the base of this review is to consider the relevant role that animal factors (potential milk yield, body weight, body condition score, state of lactation, parity and fertility) play on milk performance (considering the energy balance and the rumen function across the full lactation curve of animals) and milk quality (milk protein content, milk fat content, milk lactose content, vitamins, minera...

Vibration-rotation and pure rotational data in the X2Σ+ ground state and electronic data from the A2Π – X2Σ+ and B2Σ+ − X2Σ+ transitions of CaH and CaD were used in the quantum-mechanical direct-potential-fit (DPF) analysis to determine an analytic potential energy function for the X2Σ+ ground state of CaH, and a radial correction function for the CaD isotopologue. The potential energy function...

Interaction of meso — tetrakis (p-sulphonato phenyl) porphyrin (hereafter abbreviated to TSPP)with Na+ has been examined using HF level of theory with 6-31G* basis set. Counterpoise (CP)correction has been used to show the extent of the basis set superposition error (BSSE) on thepotential energy curves. The numbers of Na+ have a significant effect on the calculated potentialenergy curve (includ...