Published March 2000
| Version v1
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Electronic structure of transactinide compounds - theory. Theoretical approach to the experimental chemistry of Rf
Creators
- 1. Japan Atomic Energy Research Inst., Tokai, Ibaraki (Japan). Tokai Research Establishment
Description
We have applied the relativistic density functional method to the chemistry of rutherfordium (Rf: element 104). We used M(NO3)4(H2O)4 [where M=Zr, Hf and Rf] cluster to compare the electronic structure between Rf nitrate and Zr, Hf nitrates. The number of d electrons decreases in the order of Rf > Zr > Hf and s electron occupation decreases Rf > Hf > Zr. Rf(NO3)4(H2O)4 is found to be more stable than Zr(NO3)4(H2O)4 and Hf(NO3)4(H2O)4. (author)
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Additional details
Publishing Information
- Imprint Title
- Proceedings of the workshop on the nuclear sciences of the heaviest elements
- Imprint Pagination
- 111 p.
- Journal Page Range
- p. 67-70
- Report number
- JAERI-Conf--2000-002
Conference
- Title
- Workshop on the nuclear sciences of the heaviest elements
- Dates
- 21-22 Jul 1999
- Place
- Tokai, Ibaraki (Japan)
INIS
- Country of Publication
- Japan
- Country of Input or Organization
- Japan
- INIS RN
- 31065655
- Subject category
- S74: ATOMIC AND MOLECULAR PHYSICS;
- Resource subtype / Literary indicator
- Conference
- Descriptors DEI
- CHEMICAL STATE; DIRAC EQUATION; ELECTRONIC STRUCTURE; ELEMENT 104; HAFNIUM COMPOUNDS; MOLECULAR DYNAMICS METHOD; MOLECULAR ORBITAL METHOD; NITRATES; SCHROEDINGER EQUATION; WATER; ZIRCONIUM COMPOUNDS
- Descriptors DEC
- CALCULATION METHODS; DIFFERENTIAL EQUATIONS; ELEMENTS; EQUATIONS; FIELD EQUATIONS; HYDROGEN COMPOUNDS; NITROGEN COMPOUNDS; OXYGEN COMPOUNDS; PARTIAL DIFFERENTIAL EQUATIONS; REFRACTORY METAL COMPOUNDS; TRANSITION ELEMENT COMPOUNDS; TRANSPLUTONIUM ELEMENTS; TRANSURANIUM ELEMENTS; WAVE EQUATIONS
Optional Information
- Notes
- 4 refs., 2 figs.