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Computational Study of Solvent Effects and the Vibrational Spectra of Anderson Polyoxometalates

✍ Scribed by Adam J. Bridgeman

Publisher
John Wiley and Sons
Year
2006
Tongue
English
Weight
192 KB
Volume
12
Category
Article
ISSN
0947-6539

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The vibrational polarizability tensor is linked to the force constant and dipole moment derivative matrices. The analytical computation of these quantities is possible, in particular by using semi-empirical quantum-chemical methods. The electrostatic influence of liquid surroundings can be analyzed