Relativistic DFT calculations of the paramagnetic intermediates of [NiFe] hydrogenase. Implications for the enzymatic mechanism

Research output: Contribution to Journal › Article › Academic › peer-review

Original language	English
Pages (from-to)	5839-40
Journal	Journal of the American Chemical Society
Volume	123
Issue number	24
DOIs	https://doi.org/10.1021/ja005808y
Publication status	Published - 2001

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@article{63f8d08982654f879e811c495e226695,

title = "Relativistic DFT calculations of the paramagnetic intermediates of [NiFe] hydrogenase. Implications for the enzymatic mechanism",

author = "M. Stein and \{van Lenthe\}, E. and E.J. Baerends and W. Lubitz",

year = "2001",

doi = "10.1021/ja005808y",

language = "English",

volume = "123",

pages = "5839--40",

journal = "Journal of the American Chemical Society",

issn = "0002-7863",

publisher = "American Chemical Society",

number = "24",

}

TY - JOUR

T1 - Relativistic DFT calculations of the paramagnetic intermediates of [NiFe] hydrogenase. Implications for the enzymatic mechanism

AU - Stein, M.

AU - van Lenthe, E.

AU - Baerends, E.J.

AU - Lubitz, W.

PY - 2001

Y1 - 2001

U2 - 10.1021/ja005808y

DO - 10.1021/ja005808y

M3 - Article

SN - 0002-7863

VL - 123

SP - 5839

EP - 5840

JO - Journal of the American Chemical Society

JF - Journal of the American Chemical Society

IS - 24

ER -