Quantitative measures of the nonlinearity of an analytical method are defined as follows: the "(dimensional) nonlinearity" of a method is the square root of the mean of the square of the deviation of the response curve from a straight line, where the straight line is chosen to minimize the nonlinearity. The "relative nonlinearity" is defined as the dimensional nonlinearity divided by the differ...

the acidity constants (pka) of thirty four (34) ;-substituted carboxylic acids in aqueous solution havebeen calculated using conductor-like polarizable continuum (c-pcm) solvation model. the gasphaseenergies at the density functional theory (dft-mpw1pw91) and solvation energies athartree fock (hf) are combined to estimate the pka values which are very close to the experimentalvalues where, and ...

Adaptive networks include a set of nodes with adaptation and learning abilities for modeling various types of self-organized and complex activities encountered in the real world. This paper presents the effect of heterogeneously distributed incremental LMS algorithm with ideal links on the quality of unknown parameter estimation. In heterogeneous adaptive networks, a fraction of the nodes, defi...

The acidity constants (pKa) of thirty four (34) ;-substituted carboxylic acids in aqueous solution havebeen calculated using conductor-like polarizable continuum (C-PCM) solvation model. The gasphaseenergies at the Density Functional Theory (DFT-MPW1PW91) and solvation energies atHartree Fock (HF) are combined to estimate the pKa values which are very close to the experimentalvalues where, and ...

We developed a deductive database system PACADE for analyzing three dimensional and secondary structures of protein. PACADE is equipped with a function to search for similar structures in proteins. Unlike other approaches based on calculation of the inter-atomic root mean square distance, this function is based on logic programming and source level rule rewriting techniques. We describe herein ...