ABSTRACT
Keywords ................................................................................................ 25 References ............................................................................................... 25
1.1 PART 1-QUANTUM-CHEMICAL CALCULATION OF MOLECULE 1,4-DIMETHYLENECYCLOHEXANE BY METHOD MNDO
1.1.1 INTRODUCTION
For the first time quantum chemical calculation of a molecule of 1,4-dimethylencyclohexane is executed by method MNDO with optimization of geometry on all parameters. The optimized geometrical and electronic structure of this compound is received. Acid power of 1,4-dimethylencyclohexane is theoretically appreciated. It is established, than it to relate to a class of very weak H-acids (pKa = +36, where pKa-universal index of acidity).
