The Cope Rearrangement Revisited with Multireference Perturbation Theory
β Scribed by Kozlowski, P. M.; Dupuis, M.; Davidson, E. R.
- Book ID
- 121011088
- Publisher
- American Chemical Society
- Year
- 1995
- Tongue
- English
- Weight
- 622 KB
- Volume
- 117
- Category
- Article
- ISSN
- 0002-7863
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π SIMILAR VOLUMES
## Abstract The secondβorder multireference perturbation theory using an optimized partitioning, denoted as MROPT(2), is applied to calculations of various molecular propertiesβexcitation energies, spectroscopic parameters, and potential energy curvesβfor five molecules: ethylene, butadiene, benzen
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