Empirically Augmented Density Functional Theory for Predicting Lattice Energies of Aspirin, Acetaminophen Polymorphs, and Ibuprofen Homochiral and Racemic Crystals
Author:
Publisher
Springer Science and Business Media LLC
Subject
Pharmacology (medical),Organic Chemistry,Pharmaceutical Science,Pharmacology,Molecular Medicine,Biotechnology
Link
http://link.springer.com/content/pdf/10.1007/s11095-006-9006-5.pdf
Reference56 articles.
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3. Z. Berkovitch-Yellin. Toward an ab initio derivation of crystal morphology. J. Am. Chem. Soc. 107:8239–8253 (1985).
4. R. Docherty, G. Clydesdale, K. J. Roberts, and P. Bennema. Application of Bravais–Friedel–Donnay–Harker, attachment energy and ising-models to predicting and understanding the morphology of molecular crystals. J. Phys. D 24:89–99 (1991).
5. G. Wulff. Zur frage der geschwindigkeit des wachstums und der auflösung der krystallflachen. Z. Kristallogr. 34:449–530 (1901).
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