Ab initio molecular orbital theory using basis sets up to 6-311G\*\*, with electron correlation incorporated via configuration interaction calculations with single and double substitutions, has been used to study the structures and energies of the C,H, monocation and dication. In agreement with rece
โฆ LIBER โฆ
Molecular orbital theory of the electronic structure of organic compounds. XXII. Structures and stabilities of C3H3+ and C3H+ cations
โ Scribed by Radom, Leo; Hariharan, P. C.; Pople, John A.; Schleyer, Paul v. R.
- Book ID
- 120517849
- Publisher
- American Chemical Society
- Year
- 1976
- Tongue
- English
- Weight
- 531 KB
- Volume
- 98
- Category
- Article
- ISSN
- 0002-7863
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