ABSTRACT
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5.1 THEORETICAL ESTIMATION OF ACID FORCE OF MOLECULE P-DIMETHOXY-TRANS-STILBENE BY METHOD AB INITIO
5.1.1 introduCtion
In this section, for the first time quantum chemical calculation of a molecule of p-dimethoxy-trans-stilbene is executed by method AB initio with optimization of geometry on all parameters. The optimized geometrical and electronic structure of this compound is received. Acid power of p-dimethoxy-trans-stilbene is theoretically appreciated. It is established, than it to relate to a class of very weak H-acids (pKa=+36, where pKauniversal index of acidity).
