Nitrogen Charges and Bond Energies

The electrostatic potentials Vh at the nuclei of hydrogen atoms bonded to nitrogen and carbon atoms offer much required information regarding a few key molecules, namely, about the energies of their chemical bonds. 

The thus computed potential energies, (Eq. (10.14)), were rescaled with the help of the experimental total energy, using the Politzer formula [79] 

Selected computed data are collected in Table 15.1. They are of great use in the forthcoming examples, which illustrate the procedure. 

TABLE 15.2. Energy Parameters of Selected Molecules (kcal/mol) 

TABLE 15.3. Electrostatic Potential at Alkyl-H Nuclei (an) and CH Bond Energies (kcal/mol) 

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