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Computational models for the shuttling motion of the macrocycle in rotaxane-based molecular switches

✍ Scribed by Pipsa Hirva; Matti Haukka; Tapani A. Pakkanen

Book ID
106239921
Publisher
Springer-Verlag
Year
2008
Tongue
English
Weight
301 KB
Volume
14
Category
Article
ISSN
1610-2940

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In certain cases for conjugated molecules, which can often be found in several conformations close in energy, hyperpolarizabilities of the rotamers differ by less than 20%, which is comparable to uncertainty in experimental data and this makes it possible to consider only one representative conforma