The suitability of calculating atomic multipole moments from AM1 wave functions by cumulative potential-derived method has been investigated. It is shown that this method has a faster convergence of the fitting process and gives a better description of the charge distribution than the original PD me
A semiempirical computational investigation of the antipsoriatic drug anthralin
β Scribed by Andrew J. Holder; Sathyanarayana M. Upadrashta
- Publisher
- John Wiley and Sons
- Year
- 1992
- Tongue
- English
- Weight
- 462 KB
- Volume
- 81
- Category
- Article
- ISSN
- 0022-3549
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