Theoretical investigations of methanesulphonamide as a hydroxy group equivalent in drugs: examples from possible β-adrenergic agents and analysis of computational methods

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Summary

Critical evaluation was made of several quantum chemical methods used in the study of methanesulphonamide and other possible drugs, including the semiempirical MNDO and MINDO/3 methods and the ab initio Hartree–Fock method with the STO-3G, 3- 21G, and 3-21G basis sets.

Type
article
Published
1988-01-01
Cited by
8
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0

Keywords

MNDO, MINDO, Computational chemistry, Chemistry, Quantum chemical

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