Theoretical Investigation of the Electronically Excited States of Chlorine Hydrate
β Scribed by Daniel P. Schofield; Kenneth D. Jordan
- Publisher
- John Wiley and Sons
- Year
- 2007
- Weight
- 11 KB
- Volume
- 38
- Category
- Article
- ISSN
- 0931-7597
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π SIMILAR VOLUMES
The electronic structure of transition metal containing molecules are extremely complicated and extensive calculations are required for reliable descriptions. In spite of this the results can often be interpreted in simple terms. The electronic structure of PdC is consistent with the molecular orbit
The molecular geometries in the ground and lowest singlet -U and U ## Ε½ . n-excited states of three tautomers of isocytosine keto-N H, keto-N H, and enol and 3 1 their complexes with a water molecule were optimized at the ab initio level of theory Ε½ . applying the 6-311qqG d, p basis set. Excited-