The spectroscopy of thioformaldehyde. MR-CI studies on the triplet states of H2CS
β Scribed by M.R.J. Hachey; F. Grein
- Publisher
- Elsevier Science
- Year
- 1995
- Tongue
- English
- Weight
- 693 KB
- Volume
- 197
- Category
- Article
- ISSN
- 0301-0104
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The accuracy of the SAC-Cl (symmetry-adapted-cluster configuration-interaction) method is examined for the singlet and triplet excited states of Hz0 by comparison with the full-Cl results for the [4s2p] basis set. The SAC-C1 results for the excitation energy agree with the full-Cl results to within
The low-lying valence and Rydberg excited states of HzSi=O are calculated with the multiple-reference configurationinteraction (MR CI) method. In order to characterize these excited states, the results are compared with those of HzC=O.
## Abstract ## Purpose: To study the features of proton magnetic resonance spectroscopy (^1^HβMRS) on amyotrophic lateral sclerosis (ALS) and its relation with clinical scale. ## Materials and Methods: Fifteen patients with definite or probable ALS and 15 ageβ and genderβmatched normal controls