All
possible monohydroxycoumarin derivatives are modeled using
density functional theory computations in order to investigate the
role of the hydroxyl group position for the radical-scavenging and
antioxidant activity of these compounds. Geometry optimization is
performed using the B3LYP functional with the 6-311++G(d,p) basis
set. The enthalpy changes are assessed in gas phase and in implicit
water using the polarized continuum model. Structure–reactivity
patterns are delineated. The most reactive isomers as well as the
most probable mechanism of interaction between monohydroxycoumarins
and free radicals are outlined.
In this article, we'll introduce ways to build virtual worlds through different computer programs. We will show the method of rectangles for analyzing data obtained from the electroencephalogram. We will demonstrate basic mathematical models for movement prediction in a system of virtual reality. Using this data, the main transformations are possible-change of position and rotation (change of orientation).
This article is based on the methodology of comparative analysis, using an innovative approach for pricing of various goods and services. Benchmarking is the continuous search to find and adapt better pricing methods that leading to increased profits. We will consider the numerical solution of partial differential equations, based on Black-Scholes model for pricing of goods and services within European option. Also, we will present formulation and numerical behavior of explicit and implicit methods that can be use in pricing for company assets within European option.
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