Model Reactions for the Synthesis of Azacorannulenes and Related Heteroaromatic Compounds
✍ Scribed by Ina Dix; Christian Doll; Henning Hopf; Peter G. Jones
- Publisher
- John Wiley and Sons
- Year
- 2002
- Tongue
- English
- Weight
- 197 KB
- Volume
- 2002
- Category
- Article
- ISSN
- 1434-193X
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Isodesmic reactions are commonly used in ab initio studies to partially cancel errors associated with incomplete basis sets and incomplete correction for electron correlation. The errors associated with these reactions have been examined using the 6-31G\* basis set at the theoretical levels HF, MP2,
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