The relative stabilities of Bi2MoO6 polymorphs
β Scribed by H. Kodama; A. Watanabe
- Publisher
- Elsevier Science
- Year
- 1985
- Tongue
- English
- Weight
- 332 KB
- Volume
- 56
- Category
- Article
- ISSN
- 0022-4596
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The ability of computational methods to describe the relative energies of polymorphic pharmaceuticals is investigated for a diverse array of compounds. The initial molecular geometries were taken from crystal structures, and energy differences between polymorphic pairs were calculated with various g