We report X 'A' and 7 'A' potentml energ) surfaces for HCN Thermal lsomerlsatlon on the Found-state surface 1s dlscussed AII avolded crossmg between X 'A' and 2. k' suggests altematlve Isomerlsat!on mechamsms VW this exctted state The XtA'-7 'A' tnteractton may also allow the formatton of CN(X 'Z')
A redefined anharmonic potential energy surface of HCN
β Scribed by W Quapp
- Publisher
- Elsevier Science
- Year
- 1987
- Tongue
- English
- Weight
- 335 KB
- Volume
- 125
- Category
- Article
- ISSN
- 0022-2852
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π SIMILAR VOLUMES
One-dimensional potential energy expansions in stretching, bending and rigid-body translational and rotational coordinates up to fourth order have been calculated for bound Hz0 molecules by ab initio MO LCAO SCF methods. Water in crystalline ice and LiOH.H20 have been simulated by calculations on (H
## Potential E~ter(]y of Liquid ~q'to;faees. 215 Potential Energy of Liquid Surfaces.--In 1876, G. Van der Mensbrugghe demonstrated the two following propositions: I. If the upper free lay(n-of a liquid mass undergoes an expansion, it becomes cooler; if, on the contrary, it contract% it becomes war