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A crystallographic and molecular mechanics study of inhibitors of dihydroorotase

✍ Scribed by Hambley, T. W. ;Phillips, L. ;Poiner, A. C. ;Christopherson, R. I.


Book ID
114514886
Publisher
International Union of Crystallography
Year
1993
Tongue
English
Weight
741 KB
Volume
49
Category
Article
ISSN
0108-7681

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A molecular mechanics study of alkyl per
✍ Kuohsiang Chen; Norman L. Allinger πŸ“‚ Article πŸ“… 1993 πŸ› John Wiley and Sons 🌐 English βš– 924 KB

## Abstract Studies have been carried out on alkyl peroxides with MM3 that have led to a parameter set that allows the calculation of geometries, energies, vibrational frequencies, and heats of formation for alkyl hydroperoxides (Rο£ΏOο£ΏOο£ΏH) and dialkyl peroxides (R~1~ο£ΏOο£ΏOο£ΏR~2~). The results obtained