The analytical energy gradient of the normalized elimination of the small component (NESC) method is derived for the first time and implemented for the routine calculation of NESC geometries and other first order molecular properties. Essential for the derivation is the correct calculation of the transformation matrix U relating the small component to the pseudolarge component of the wavefuncti...

1. It has previously been shown by the author and many others that growth, in animals and plants, is an autocatalysed process. In animals it is usual to find that growth occurs in several superimposed autocatalytic cycles. In many cases, in plants and animals, especially if the cycle is one which occupies a large proportion of the growing period, it is found that the velocity-constant of the au...

Ultrathin Sb(2)S(5) nanofibers were prepared using a wet chemical method at 50 degrees C and applied as selective adsorbents of Pb ions in water.

We show that it is possible to construct an accurate approximation to the variational coupled cluster method, limited to double substitutions, from the minimization of a functional that is rigorously extensive, exact for isolated two-electron subsystems and invariant to transformations of the underlying orbital basis. This approximate variational coupled cluster theory is a modification and enh...

This study reports the simple process to synthesis of CuO/CuI nanocomposite in a non-aqueous solution. In the conducted experiments CuI and Dimethyl Sulfoxide (DMSO) were used as the precursors. Moreover, DMSO had role of solvent and ligand simultaneously. In experiments the effects of oleic acid as the particles size modifier, temperature and concentration were investigated. Crystalline struct...

The variational iteration method(VIM) was extended to find approximate solutions of fractional chemical engineering equations. The Lagrange multipliers of the VIM were not identified explicitly. In this paper we improve the VIM by using concept of fixed point iteration method. Then this method was implemented for solving system of the time fractional chemical engineering equations. The ob...

background and objectives : streptokinase is used clinically as an intravenous thrombolytic agent for the treatment of acute myocardial infarction and is commonly prepared from cultures of streptococcus equisimilis strain h46a. the objective of the present study was the production of streptokinase from strain h46a and purification by chemical reduction method. materials and methods: the rate of...

one of the possible threats in increasing use of nanomaterials is the emergence of toxicity in humans and other animals which is discussed in nanotoxicology. in addition to toxic effects of nanomaterials themselves, different chemical precursors which are usually used in bottom-up approaches for production of nanomaterials may have secondary toxic effects in living organisms. in contrast, less ...