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3.926  Articles
1 of 394 pages  |  10  records  |  more records»
It has been obtained the anisotropy ratio a = T1(ortho-,meta-13C)/T1(para-13C) of dilute solutions of bn change from 1.7 in fa solution and 1.5 in neat bn to 1.0 in HMPT. Thus the anisotropy ratio comes out to be a = 1. In HMPT, obviously, solvent molecul... see more

In the present work, the free base, cationic and hydrochloride species of the anti-histaminic diphenhydramine drug were theoretically studied by using the hybrid B3LYP/6-311++G** calculations in the gas phase and the experimental available infrared and Ra... see more

An algorithm is proposed for solving the price optimization problem using inverse calculations. The algorithm includes two stages: solving the problem of unconditional optimization and solving the inverse problem using inverse calculations while minimizin... see more

The first principles calculations were performed to study the sit preferences and effects on elastic properties with the Cambridge sequential total energy package (CASTEP) code for the Ni3Al system doped with the alloying element M (Ti, Nb). It was found ... see more

The article presents the results of studying the basic parameters of explosive influence for practical calculations of durability and stability of tunnel constructions. The obtained dependences of basic parameters are functions and have an applied nature.

The paper presents the results of the tests from the contamination point of view of some sour-cream types with the same fat percentage, coming from some of the production units in the Bihor county. Qualitative and quantitative calculations have been perfo... see more

The knowledge of the mechanism involved in the process of adsorption and desorption of arsenate and arsenite with ferric hydroxides is important to address the water toxicity problems and to tackle the adverse effect of these substances in nature. An esse... see more

In this work, we have performed the extraction of yohimbine hydrochloride (C21H27ClN2O3) (YHCl). The optimized geometry, total energy, potential energy surface and vibrational wavenumbers of YHCl have been determined by using ab initio Hartree–Fock (HF) a... see more

ABSTRACT ANALYSES OF FUEL BURNUP CALCULATIONS OF KARTINI REACTOR BASED ON THE NEW CALCULATION SCHEME. It has been described a new scheme of fuel burnup calculation, intended to improve the present practice used at Kartini reactor. The improvement include... see more

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