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By Slavcho Kirillov Rakovsky, Ryszard Kozlowski, Nekane Guarrotxena

In a unified therapy for the extensive topic of fabrics, this booklet provides a few attention-grabbing phenomena linked to the striking functionality of polymers and chemical fabrics. It offers a finished description of the purposes and instruments for chemical polymeric fabrics. it is usually the historical past details helpful for assimilating the present educational literature on complicated fabrics and their purposes.

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2 SCHEMA 2 Taking into account this data establishing the fact of formation phenoling radicals and products of their transformations under the Schema 2, oxidation of compounds 1 and 2 in relative conditions is made. At oxidation of an antioxidant 1 Ag2O at 20°C within 1 h compound 1b (R=Me) with a yield of 49 % is formed, at oxidation 2 in simulated condition _ yield 2b 14 %. butyl substituent at carboxyl group oxygen that leads to yield decrease methylenchinone 2b in comparison with 1b (14% against 49%).

The calculation was done with optimization of all parameters by standard gradient method built-in in PC GAMESS [2]. The calculation was executed in approach the insulated molecule in gas phase. Program MacMolPlt was used for visual presentation of the model of the molecule. [3]. 1 METHODOLOGY Geometric and electronic structures, general and electronic energies of molecule methylencyclooctane was received by method MNDO and are shown on Fig. 3. 04 (for 10 Analytical Tools and Industrial Applications for Chemical Processes methylencyclooctane qmaxH+ alike Table 3)).

FIGURE 7 Geometric and electronic molecule structure of 3,3'-diindenyl. Methodologies on Quantum-chemical Calculation 23 (E0= –18 11035 kDg/mol, Eel= –4873383 kDg/mol) TABLE 7 Optimized bond lengths, valence corners and charges on atoms of the molecule 3,3'-diindenyl. 09 C(7)-C(23)-C(24) 127 C(23)-C(24)-C(25) 112 C(20)-C(21)-H(26) 120 C(19)-C(20)-H(27) 120 C(18)-C(19)-H(28) 120 C(17)-C(18)-H(29) 121 Methodologies on Quantum-chemical Calculation 25 TABLE 7 (Continued) C(23)-C(24)-H(30) 125 C(24)-C(25)-H(31) 112 C(24)-C(25)-H(32) 112 Quantum-chemical calculation of molecule 3,3'-diindenyl by method ab initio in base 6–311G** was executed for the first time.

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