Inadequacies of the point-dipole approximation for describing electron-nuclear interactions in paramagnetic proteins: Hybrid density functional calculations and the analysis of NMR relaxation of high-spin iron(III) rubredoxin

TitleInadequacies of the point-dipole approximation for describing electron-nuclear interactions in paramagnetic proteins: Hybrid density functional calculations and the analysis of NMR relaxation of high-spin iron(III) rubredoxin
Publication TypeJournal Article
Year of Publication1998
AuthorsWilkens, SJ, Xia, B, Volkman, BF, Weinhold, F, Markley, JL, Westler, WM
JournalJournal of Physical Chemistry B
Volume102
Pagination8300-8305