What is it about?
DFT calculations to explain the bonding nature of the active site of [NiFe] hydorgenase!
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Why is it important?
In order to improve the understanding on the [NiFe] hydorgenase towards bio-fuel production.
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This page is a summary of: Atomic partitioning of M–H2 bonds in [NiFe] hydrogenase – a test case of concurrent binding, Physical Chemistry Chemical Physics, January 2014, Royal Society of Chemistry,
DOI: 10.1039/c4cp00526k.
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