Energy bounds for isoelectronic molecular sets and the implicated order
✍ Scribed by Edgar Eduardo Daza; Andrés Bernal
- Book ID
- 106419158
- Publisher
- Springer
- Year
- 2005
- Tongue
- English
- Weight
- 150 KB
- Volume
- 38
- Category
- Article
- ISSN
- 0259-9791
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
The node counter method for the determination of hound and ~~~o~d at&e energies is described and applied to two examples. The me&& is based on the Iocation of the poles of the reaction ampfitude density.
General guidelines for development of small but efficient basis sets for intermolecular interaction calculations have been proposed and tested for simple model systems. It has been demonstrated that the use of overlap matched atomic orbitals (OMAO) leads to significant improvement in the first-order
## Abstract Isostructural clusters exhibit contrasting magnetic properties when the number of electrons differs. Surprisingly, the same is true even for isoelectronic cages (e.g. __O~h~__ B~6~H~6~^2−^ is diatropic, whereas __O~h~__ Si~6~^2−^ is paratropic) or for those with different substitutents