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Journal Articles

Improved density functional calculations including magnetic effects for RfCl$$_{4}$$ and its homologues

Anton, J.*; Hirata, Masaru; Fricke, B.*; Pershina, V.*

Chemical Physics Letters, 380(1-2), p.95 - 98, 2003/10

 Times Cited Count:6 Percentile:18.17(Chemistry, Physical)

We use the newly developed non collinear spin polarized density functional method to describe the tetrachlorides of element Rutherfordium (Rf) and its homologues. It is the first time that a real three-dimensional molecule is described with this method. Without any additional corrections (used so far for the atomic values) we get nearly complete agreement for all homologues and thus a good prediction for the unknown value for RfCl$$_{4}$$.

Journal Articles

Molecular-dynamics simulations of gold clusters

Bastug, T.; Hirata, Masaru; Varga, S.*; Fricke, B.*; Erkoc, S.*; Mukoyama, Takeshi*

Advances in Quantum Chemistry, Volume 37, p.353 - 364, 2001/00

no abstracts in English

Journal Articles

Total energy calculations of RfCl$$_{4}$$ and homologues in the framework of relativistic density functionaltheory

Varga, S.*; Fricke, B.*; Hirata, Masaru; Bastug, T.; Pershina, V.*; Frizsche, S.*

Journal of Chemical Physics, 104(27), p.6495 - 6498, 2000/06

no abstracts in English

Journal Articles

Aqueous chemistry with seaborgium (element 106)

Br$"u$chle, W.*; Andrassy, M.*; Angert, R.*; Eberhardt, K.*; Fricke, B.*; Gregorich, K. E.*; G$"u$nther, R.*; Hartmann, W.*; Heimann, R.*; Hoffman, D. C.*; et al.

1st International Conference on the Chemistry and Physics of the Transactinide Elements; Extended Abstracts, 4 Pages, 1999/00

no abstracts in English

Oral presentation

Hydration and electronic structures of nobelium ion

Hirata, Masaru; Tanaka, Kumiko*; Nagame, Yuichiro; Anton, J.*; Fricke, B.*

no journal, , 

no abstracts in English

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