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Extra info for Analytical Tools and Industrial Applications for Chemical Processes and Polymeric Materials
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3. 04 (for 10 Analytical Tools and Industrial Applications for Chemical Processes methylencyclooctane qmaxH+ alike Table 3)). This same formula is used in references [6–16]. pKa = 36. FIGURE 3 Geometric and electronic molecule structure of methylencyclooctane. (E0 = –132969 kDg/mol, Eel= –734560 kDg/mol) TABLE 3 Optimized bond lengths, valence corners and charges on atoms of the molecule methylencyclooctane. 1 INTRODUCTION For the first time quantum chemical calculation of a molecule of bicyclo[3,1,0]hexane is executed by method ab initio in base 6–311G** with optimization of geometry on all parameters for the first time.