Prediction of chromatographic retention of metal complexes from stability constants measured by ion chromatography

Chromatographia - A theoretical model is used to predict retention times of divalent metal cations in single-column ion chromatography using one or more ligands in the eluent. Stability constants...     

Density functionals for exchange and correlation energies: Exact conditions and comparison of approximations

A set of exact conditions is compiled for the purpose of developing and testing approximations for the exchange-correlation energy as a functional of the electron density. Special emphasis is placed upon recently developed density-scaling relationships. Commonly used generalized gradient approximations are compared against several of these conditions. A direct tabular comparison of these functionals (not of calculated properties) with one another is also made. © 1994 John Wiley & Sons, Inc.     

The lead tetraacetate oxidation of bisacylhydrazones of α-diketones: A scope re-assesment

Oxidation of the title compounds yields, besides the reported isoimides 3 and/or the amides 4 , also the imides 5 . The observed product dichotomy is considered as the result of an intramolecular nucleophilic attack on the aroyl group, of the pressumed zwitterionic intermediate 2 , by O or N present in the ambident N-aroylimine site of 2 . The results of AM1 calculations agree with the product studies and both permit the formulation of a set of rules correlating structure and selectivity.     

Exfoliation of Coatings from Silicon Crystals Electroless-Plated with Nickel and Electroplated with Gold

The microhardness and content of carbon in electroplated gold coatings were studied as influenced by the operation time of citrate and citrate-phosphate gold-plating electrolytes. Such physicomechanical properties as porosity, microhardness, internal stress, plasticity, and microstructure of electroless-plated and electroplated nickel coatings were studied and analyzed.     

Boundary-value problem for the nonlinear Schrödinger equation

A mixed boundary-value problem for the nonlinear Schrödinger equation and its generalization is studied by the method used for the inverse scattering problem. A connection is established between conservation laws and boundary conditions in integrable boundary-value problems for higher nonlinear Schrödinger equations. It is shown that the generalized boundary-value problem requires a joint consideration of regular and singular solutions for the nonlinear Schrödinger equation with repulsion.Translated from Zapiski Nauchnykh Seminarov Leningradskogo Otdeleniya Matematicheskogo Instituta im. V. A. Steklova AN SSSR, Vol. 169, pp. 151–165, 1988.     

Estimation of multivariate binary density using orthogonal functions

In this paper, the authors studied certain properties of the estimate of Liang and Krishnaiah (1985, J. Multivariate Anal. 16, 162–172) for multivariate binary density. An alternative shrinkage estimate is also obtained. The above results are generalized to general orthonormal systems.