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Molecular Modeling of the Morphology of Organic Crystals in the Presence of Impurity Species: Recent Applications to Naphthalene, Phenanthrene, and Caprolactam Crystals

✍ Scribed by G. Clydesdale; R. B. Hammond; V. Ramachandran; K. J. Roberts; P. Mougin


Publisher
John Wiley and Sons
Year
2006
Weight
8 KB
Volume
37
Category
Article
ISSN
0931-7597

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We have already proposed a convenient method to estimate the magnitude of the Peierls Ε½ . instability in finite one-and two-dimensional 1D and 2D polyenes from the viewpoint w Ε½ .x of orbital symmetry J. Chem. Phys., 103, 9726 1995 . This treatment is applied to a model system for charge-transfer co