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29.1.2018A black-box explicit solvation protocol for calculation of redox potentialsSterling, Cody Maximillian, 1993-
13.6.2016New insight into the formation of ammonia in nitrogenaseAlbert Þór Þórhallsson 1987-
30.5.2018QM/MM studies of molybdenum and vanadium nitrogenaseBarði Benediktsson 1992-
30.5.2018Theoretical mechanistic studies of nitrogenase and model compoundsAlbert Þór Þórhallsson 1987-
14.6.2016A theoretical study of dinitrogen activation and reduction by molybdenum porphyrinsHeiðar Már Aðalsteinsson 1987-
28.5.2015Understanding Nitrogenase: A Computational Model of the MoFe Protein from Azotobacter vinelandiiBarði Benediktsson 1992-