Electron-pair densities of group 2 atoms in theirandterms
β Scribed by T. Koga; H. Matsuyama; J. Molina Molina; J.S. Dehesa
- Publisher
- Springer
- Year
- 1999
- Tongue
- English
- Weight
- 147 KB
- Volume
- 7
- Category
- Article
- ISSN
- 1434-6060
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π SIMILAR VOLUMES
## Abstract Pair correlation in the ground state of the Li isoelectronic sequence is studied through four approximate wave functions which incorporate interβ and intrashell pair correlation. Of these functions, two possess symmetry appropriate to a threeβelectron system, while two do not. The funct
## Abstract Atomic Fukui indices, which are obtained from the electron density, have been previously shown to be useful in predicting which atoms in a molecule are most likely to suffer nucleophilic, electrophilic, or radicalary attacks. Here, we present a secondβorder generalization of these indic