DFT Investigation of H2 Activation by [M(NHPnPr3)(‘S3‘)] (M = Ni, Pd). Insight into Key Factors Relevant to the Design of Hydrogenase Functional Models-Reference-Cited by-同舟云学术

DFT Investigation of H2 Activation by [M(NHPnPr3)(‘S3‘)] (M = Ni, Pd). Insight into Key Factors Relevant to the Design of Hydrogenase Functional Models

Published:2005-09-01 Issue:38 Volume:127 Page:13180-13189
ISSN:0002-7863
Container-title:Journal of the American Chemical Society
language:en
Short-container-title:J. Am. Chem. Soc.

Author:

Zampella Giuseppe¹,Bruschi Maurizio¹,Fantucci Piercarlo¹,De Gioia Luca¹

Affiliation:

1. Contribution from the Department of Biotechnology and Biosciences and Department of Environmental Sciences, University of Milan-Bicocca, Piazza della Scienza 2, I-20156 Milan, Italy

Publisher

American Chemical Society (ACS)

Subject

Colloid and Surface Chemistry,Biochemistry,General Chemistry,Catalysis

Link

https://pubs.acs.org/doi/pdf/10.1021/ja0508424

Reference35 articles.

1. Nickel hydrogenases: in search of the active site

2. Crystal structure of the nickel–iron hydrogenase from Desulfovibrio gigas

3. Hydrogenase sophistication

4. The mechanism of the Ni-Fe hydrogenases: a quantum chemical perspective

5. Hydrogenases: active site puzzles and progress

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