Excited state electron density differentials: A new technique for studying HOMO/LUMO excitations
โ Scribed by B. D. El-Issa; M. A. Makhyoun; B. A. Salsa'
- Publisher
- John Wiley and Sons
- Year
- 1988
- Tongue
- English
- Weight
- 581 KB
- Volume
- 33
- Category
- Article
- ISSN
- 0020-7608
No coin nor oath required. For personal study only.
๐ SIMILAR VOLUMES
The molecular properties of transition metal monocarbonyls in the first excited electronic state have been evaluated by a non-standard density functional approach, using a self-consistent hybrid method including the exact exchange contribution. The computed geometries, harmonic wavenumbers and disso
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lenides 2 in 50-XOViO yields a s yellow oils. Selected spectroscopic data for 2f: 'HNMR(300MHz.CDCIJ:ii = 0.82(t.J=7.0Hz.bHj.1 65(dq.J=7.0,7.0 Hz, 4Hj. 2.2X Is, 2H). 4.76 (t. J =7.0 Hz. 2 H). 7.19 (dd. J = 7 5, 7.5 Hz, 2H). 7.33 (dd. ## . ~= ~. S , ~. S H Z , ~H ) . ~. ~S ( ~. J = ~. ~H ~. ~H ) . ~