Bounds on molecular properties of \(\pi\) systems: first-order properties (Q6562220)
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scientific article; zbMATH DE number 7871513
| Language | Label | Description | Also known as |
|---|---|---|---|
| English | Bounds on molecular properties of \(\pi\) systems: first-order properties |
scientific article; zbMATH DE number 7871513 |
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Bounds on molecular properties of \(\pi\) systems: first-order properties (English)
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26 June 2024
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In this paper, the authors derived upper and lower bounds to first-order properties in the Huckel model: \(\pi\) charge, bond order, bond number, and matrices of higher spectral moments.
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molecular properties
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bounds
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