Fletta eftir efnisorði "General Chemistry"

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A model for dinitrogen binding in the E4 state of nitrogenase

Thorhallsson, Albert Th.; Benediktsson, Bardi; Bjornsson, Ragnar (Royal Society of Chemistry (RSC), 2019-10-15)

Molybdenum nitrogenase is one of the most intriguing metalloenzymes in nature, featuring an exotic iron-molybdenum-sulfur cofactor, FeMoco, whose mode of action remains elusive. In particular, the molecular and electronic structure of the N2-binding ...
QM/MM calculations reveal a bridging hydroxo group in a vanadium nitrogenase crystal structure

Benediktsson, Bardi; Þórhallsson, Albert Þ.; Bjornsson, Ragnar (Royal Society of Chemistry (RSC), 2018)

A new 1.2 Å crystal structure of vanadium nitrogenase, isolated under turnover conditions, recently revealed a light atom ligand (OH or NH) replacing the bridging S2B sulfide of the FeV cofactor. QM/MM calculations on the new structure now reveal the ...
Why do RuO2 electrodes catalyze electrochemical CO2 reduction to methanol rather than methane or perhaps neither of those?

Tayyebi, Ebrahim; Hussain, Javed; Skulason, Egill (Royal Society of Chemistry (RSC), 2020-09-21)

The electrochemical CO2reduction reaction (CO2RR) on RuO2and RuO2-based electrodes has been shown experimentally to produce high yields of methanol, formic acid and/or hydrogen while methane formation is not detected. This CO2RR selectivity on RuO2is ...

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