Global topology of triatomic potential surfaces
β Scribed by Davidson, Ernest R.
- Book ID
- 120587631
- Publisher
- American Chemical Society
- Year
- 1977
- Tongue
- English
- Weight
- 663 KB
- Volume
- 99
- Category
- Article
- ISSN
- 0002-7863
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π SIMILAR VOLUMES
We present in this paper a mapping of t&tic ttnee-dimmsiond Born-Oppenheimer potential enera 'surfaces Y for ivhich'all arrangement ckumels are r-presented evenhandedI)-. This representation is very USefUl for viwalizing the geometical and dynamical properties of such surfaces..
A triangular plot of triatomlc potential energy surfaces is suggested in which the hidden coordinate -the perimeter of the molecule or the sum of squares of the three bond distances -is allowed to relax in order to give the lowest potential energy. This graphIcal representation preserves the full pe