Atomic partitioning of M–H2 bonds in [NiFe] hydrogenase – a test case of concurrent binding

Swaminathan Angeline Vedha, Rajadurai Vijay Solomon, Ponnambalam Venuvanalingam
  • Physical Chemistry Chemical Physics, January 2014, Royal Society of Chemistry
  • DOI: 10.1039/c4cp00526k

M–H2 bonds in [NiFe] hydrogenase

What is it about?

DFT calculations to explain the bonding nature of the active site of [NiFe] hydorgenase!

Why is it important?

In order to improve the understanding on the [NiFe] hydorgenase towards bio-fuel production.

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