A previously developed method for calculating atomic charge in neutral molecules is modified so as to account for charged molecular species. The method is based on the orbital electronegativity (EN) concept and utilizes an EN equalization principal. Since only one linear equation is required per bon
On a simple method of calculating atomic one-electron eigenfunctions
✍ Scribed by P. Gombás
- Publisher
- Elsevier Science
- Year
- 1965
- Weight
- 150 KB
- Volume
- 14
- Category
- Article
- ISSN
- 0031-9163
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