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Journal of Computational Chemistry|July 2, 2017
Cluster size convergence for the energetics of the oxygen evolving complex in PSIIPer E M Siegbahn, Xichen LiInorganic Chemistry|October 29, 2002
Catalytic mechanism of matrix metalloproteinases: two-layered ONIOM studyVladimir Pelmenschikov, Per E M SiegbahnInorganic Chemistry|March 30, 2013
Activation of dimanganese class Ib ribonucleotide reductase by hydrogen peroxide: mechanistic insights from density functional theoryKatarina Roos, Per E M SiegbahnJournal of Inorganic Biochemistry|April 6, 2006
Hydroxide instead of bicarbonate in the structure of the oxygen evolving complexPer E M Siegbahn, Marcus LundbergThe Journal of Chemical Physics|June 25, 2005
Quantifying the effects of the self-interaction error in DFT: when do the delocalized states appear?Marcus Lundberg, Per E M SiegbahnThe Journal of Physical Chemistry. B|July 21, 2006
Optimized spin crossings and transition states for short-range electron transfer in transition metal dimersMarcus Lundberg, Per E M SiegbahnJournal of the American Chemical Society|June 8, 2006
Nickel superoxide dismutase reaction mechanism studied by hybrid density functional methodsVladimir Pelmenschikov, Per E M SiegbahnJournal of Computational Chemistry|March 9, 2005
Agreement between experiment and hybrid DFT calculations for O--H bond dissociation enthalpies in manganese complexesMarcus Lundberg, Per E M SiegbahnPhysical Chemistry Chemical Physics : PCCP|April 17, 2015
Alternative mechanisms for O2 release and O-O bond formation in the oxygen evolving complex of photosystem IIXichen Li, Per E M SiegbahnPhotochemical & Photobiological Sciences : Official Journal of the European Photochemistry Association and the European Society for Photobiology|November 25, 2005
The mechanism for dioxygen formation in PSII studied by quantum chemical methodsPer E M Siegbahn, Marcus LundbergPageof 24