Title: Molecular Structure and Thermodynamic Properties of the Gaseous ThC2 and ThC4 Species
Authors: KOVACS A.KONINGS RUDY
Citation: JOURNAL OF NUCLEAR MATERIALS vol. 372 p. 391-393
Publisher: ELSEVIER SCIENCE BV
Publication Year: 2008
JRC N°: JRC43896
ISSN: 0022-3115
URI: http://publications.jrc.ec.europa.eu/repository/handle/JRC43896
DOI: 10.1016/j.jnucmat.2007.04.049
Type: Articles in periodicals and books
Abstract: The geometry and vibrations of the ThC2 and ThC4 molecules have been derived from quantum chemical calculations. The results indicate an asymmetric L-type structure for ThC2 and a planar fan-type structure for ThC4, in contrast to the linear structures assumed earlier. The entropies of ThC2 and ThC4 calculated from the results are compared to ¿experimental¿ values derived from existing vaporisation studies.
JRC Directorate:Nuclear Safety and Security

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