English (United Kingdom)

https://curated-unify.zendy.io/wp-json/zendy-region/v1/featured_content/oa?rat=en

https://curated-unify.zendy.io/wp-json/zendy-region/v1/highlighted_journal/

Global: Zendy Plus annual

Presents the access of premium content as premium feature

Premium Content

Presents the keyphrase highlighting as premium feature

Keyphrase Highlighting

Presents the summarisation as premium feature

Summarisation

Insights

Presents the pdf analysis as premium feature

PDF Analysis

Presents the zaia usage as premium feature

ZAIA

Global: Zendy Tools annual

Global: Zendy Free Plan

Global: Zendy Tools monthly

Global: Zendy Plus monthly

An estimate of STERNHEIMER polarisation effects in the electronic core of the central atoms is given in this concluding part of our series on the field gradients in Fe(C 5 H 5 ) 2  and [Co(C 5 H 5 ) 2 ] + . The STERNHEIMER factors used for inter- and extrapolations are those obtained in the literature by the perturbation-variation method without exchange. The results are mainly of qualitative importance: The field gradient including STERNHEIMER correction is in [Co (C 5 H 5 )  2 ] +  e q=1.67 a. u. experimentally and e q= 1.06 a. u. theoretically. The theoretical results for Fe(C 5 H 5 ) 2  are less reliable because of an obvious uncertainty in the choice of LCAO-coefficients and a merely approximate computation of the two-center terms in the expansion of the field gradient: e q=0.33 a. u. theoretically and e q= 1.25 a. u. experimentally for a Fe 57m  quadrupole moment of 0.18 b. A summation of important facts in all three parts of this investigation is given as conclusion.

Eine Berechnung der Feldgradienten am Ort der Fe- und Co-Kerne in Fe(C 5 H 5 )2 und [Co(C 5 H 5 )2] +: III. Sternheimer-Korrektur der Feldgradienten