Some aspects of 4f-bonding in molecules and solids
β Scribed by M.V Ryzhkov; V.A Gubanov
- Book ID
- 116016537
- Publisher
- Elsevier Science
- Year
- 1987
- Weight
- 172 KB
- Volume
- 127
- Category
- Article
- ISSN
- 0022-5088
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π SIMILAR VOLUMES
Mathematical formulationsare presented,for t!!e construction of two different partitioning surfaces in molecular and : solid systems. A surface which divides the electron charge density P inta atomic or fragmental regions is obtained by proc-ding from a local minimum in the direction defined by the
## Abstract The status of theoretical calculations on polymers is illustrated by two specific problems. The first one is the interpretation of ESCA results on polymers by suitable __ab initio__ calculations. The second problem is the very timely one of bond alternation in polymers. The reliability