Journal of Theoretical Chemistry

Research Article

Mathematical Analysis of a Series of 4-Acetylamino-2-(3,5-dimethylpyrazol-1-yl)-6-pyridylpyrimidines: A Simple Way to Relate Quantum Similarity to Local Chemical Reactivity Using the Gaussian Orbitals Localized Theory

Table 4

Molecular Quantum Similarity matrix using the Coulomb operator.
Ca123456789
11.0000        
20.99951.0000       
30.98020.98031.0000      
40.96940.96680.98771.0000     
50.94710.94610.96530.96091.0000    
60.95820.95670.97620.98980.95171.0000   
70.96900.96900.98720.97930.95740.98891.0000  
80.97550.97600.99460.98410.96100.98480.99671.0000 
90.93870.93840.95710.95190.93220.97350.98130.97051.0000
C: compound (Table 1).