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Calculation of the static and dynamic difference densities for thiourea

โœ Scribed by Hans-Lothar Hase; Heinrich Reitz; Armin Schweig

Publisher
Elsevier Science
Year
1976
Tongue
English
Weight
241 KB
Volume
39
Category
Article
ISSN
0009-2614

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โœฆ Synopsis

The thermally averaged difference density of thiourea is calculatad from an ab initio wavefunction of double< quality and from experimental temperature parameters. From a comparison of the dynamic and static densities some conclusions are drawn for the interpretation of experimental electron densities.

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