Abstract
When total pi-electron energy is obtained as the result of a quantum chemical calculation, another problem remains unsolved. Namely, from the knowledge of Epi one has to deduce chemically relevant predictions. This step in the utilizing of theoretical results is often tacitly assumed and its importance is sometimes forgotten.
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© 1977 Springer-Verlag Berlin · Heidelberg
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Graovac, A., Gutman, I., Trinajstić, N. (1977). Resonance Energy. In: Topological Approach to the Chemistry of Conjugated Molecules. Lecture Notes in Chemistry, vol 4. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-93069-0_4
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DOI: https://doi.org/10.1007/978-3-642-93069-0_4
Publisher Name: Springer, Berlin, Heidelberg
Print ISBN: 978-3-540-08431-0
Online ISBN: 978-3-642-93069-0
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