A theoretical investigation of the primary dissociation paths of ethynylsilane
โ Scribed by McDouall, J. J. W.; Schlegel, H. B.; Francisco, J. S.
- Book ID
- 126088392
- Publisher
- American Chemical Society
- Year
- 1989
- Tongue
- English
- Weight
- 651 KB
- Volume
- 111
- Category
- Article
- ISSN
- 0002-7863
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๐ SIMILAR VOLUMES
The dissociation potential energy surfaces of ground-state bridged disilyne ('A,), the S&Ha global minimum, is investigated using the state-averaged multi-conf~uration self-consistent field (SA-MCSCF) method. The dissociation energy of bridged disilyne into Si2( '4) +H2('El ) is predicted to be 42 k
A series of MRD CI calculations is presented for the linear asymmetric dissociation of singlet states of the water molecule. The present calculations complement previous work on HzO, providing further information on conical intersections in the higher excited states and on the nature and dissociatio