The determination of minima and saddle points on the potential energy surfaces of the hydrogen bonded species 02-HF and 0,-H20 is performed with unrestricted Hartree-Fock calculations. Geometries, electron density distributions, and relative energies for every stationary point are reported. Only one
Stationary Points on the Ground-State Potential Energy Surface of Dimethyldiazene. Isomerization and Decomposition in Competition
✍ Scribed by Vrábel, Imrich; Biskupič, Stanislav; Staško, Andrej
- Book ID
- 126824792
- Publisher
- American Chemical Society
- Year
- 1997
- Tongue
- English
- Weight
- 238 KB
- Volume
- 101
- Category
- Article
- ISSN
- 1089-5639
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