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Graph-theoretical study of a novel relationship between the molecular π-electronic framework and the energy eigenvalues

✍ Scribed by Katsunori Sakurai; Kichisuke Nishimoto

Publisher
Elsevier Science
Year
1988
Tongue
English
Weight
294 KB
Volume
144
Category
Article
ISSN
0009-2614

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✦ Synopsis

A novel relationship between the molecular n-electronic framework and the energy eigenvalues is derived by the propagator technique. Isospectral points are easily found by calculation of the n-energy density associated with each atom. "Isospectral partial structure" is defined. From the present theory, some characteristic properties associated with the isospectral partial structure are obtained.

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