๐”– Bobbio Scriptorium
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Empirical resonance energies for benzene and pyridine

โœ Scribed by Philip George; Charles W. Bock; Mendel Trachtman


Book ID
104233356
Publisher
Elsevier Science
Year
1985
Tongue
French
Weight
235 KB
Volume
26
Category
Article
ISSN
0040-4039

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๐Ÿ“œ SIMILAR VOLUMES


Graph-theoretical resonance energies of
โœ William C. Herndon ๐Ÿ“‚ Article ๐Ÿ“… 1979 ๐Ÿ› Elsevier Science ๐ŸŒ French โš– 221 KB

Experimental values of r ionization potentials, non-subjective linear regression techniques, and graph theory are used to calculate resonance energies with the results, C H 6 6' 0.821 eV; C6H5N, 0.618 eV; C6H5P, 0.661 eV; C6H5As, 0.545 eV; C6H5Sb, 0.607 eV. Group V heterobenzenes are judged to be a

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With two KekulC and three Dewar structures, Cooper et al. were able to recover 92% of the benzene r-electron correlation energy (the difference between the SCF energy and the I75-structure minimal basis set limit) by using symmetrically "distorted" AOs. Here it is shown that by using the asymmetric