Semiempirical NDDO calculations with STO-3G and 4-31G basis sets

Author:

Thiel Walter

Publisher

Springer Science and Business Media LLC

Subject

Chiropractics,Physical and Theoretical Chemistry

Reference51 articles.

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3. Dewar, M. J. S., Thiel, W.: J. Am. Chem. Soc.99, 4899 (1977)

4. Schaefer, H. F., III: The electronic structure of atoms and molecules. Reading: Addison-Wesley 1972

5. Hehre, W. J.: Acc. Chem. Res.9, 399 (1976)

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