g- and a-tensor calculations in the zero-order approximation for relativistic effects of Ni complexes Ni(mnt)(2)(-) and Ni(CO)(3)H as model complexes for the active center of [NiFe]-hydrogenase

M. Stein, E. van Lenthe, E.J. Baerends, W. Lubitz

Research output: Contribution to JournalArticleAcademicpeer-review

Original languageEnglish
Pages (from-to)416-425
JournalJournal of Physical Chemistry A
Issue number2
Publication statusPublished - 2001

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