AM1 studies of hexasubstituted benzenes I. Pyrrolyl-, imidazolyl- and pyrazolyl-derivatives
✍ Scribed by Martin Breza; Vladimı́r Lukeš; Peter Zálupský
- Book ID
- 114143117
- Publisher
- Elsevier Science
- Year
- 1998
- Tongue
- English
- Weight
- 120 KB
- Volume
- 453
- Category
- Article
- ISSN
- 0166-1280
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## Abstract Some novel imidazolyl and pyrazolyl thiophene derivatives were synthesized. Different substituted __N__‐containing heterocycles were chosen with the aim of enhancing the activity or selectivity of the products towards inhibition of one of the three isoforms of nitric oxide synthase. One
The heats of formation of a series of m-and p-substituted benzene and toluene derivatives, Ar-Y and ArCH,.Y, and their phenyi or benzyl cations, anions, and radicals were calculated by the semiempirical AM1 MO method. Using this data and either the experimental values for the Y species or those obta