HMO Version 1.1: A Hückel molecular orbital program for the Macintosh
✍ Scribed by Allan Wissner
- Publisher
- Elsevier Science
- Year
- 1990
- Weight
- 512 KB
- Volume
- 3
- Category
- Article
- ISSN
- 0898-5529
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Binding energy shiffts spanning a range of 9 eV for carbon 1s electrons in twenty different environments have been correlated wivith the properly calculated average potential at the carbon nucleus due to the ocher nuclei (with nuclear charges appropriately reduced by their core electro\_m) and the v
## Title of version: SYMMET version 2 Nature of physical problem The group theory is used for the classification of the electron Catalogue number: ABRA states of molecules and the transformation of the matrix eigenvalue problem to a quasidiagonal form. If the p-basis on Program obtainable from: CP
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