Theoretical Modeling of Putative Ni(III)−F430 Intermediates of Methylcoenzyme M Reductase-Reference-Cited by-同舟云学术

Theoretical Modeling of Putative Ni(III)−F430 Intermediates of Methylcoenzyme M Reductase

Published:2001-01-24 Issue:7 Volume:123 Page:1543-1544
ISSN:0002-7863
Container-title:Journal of the American Chemical Society
language:en
Short-container-title:J. Am. Chem. Soc.

Author:

Wondimagegn Tebikie¹,Ghosh Abhik¹

Affiliation:

1. Institute of Chemistry, University of Tromsø N-9037 Tromsø, Norway

Publisher

American Chemical Society (ACS)

Subject

Colloid and Surface Chemistry,Biochemistry,General Chemistry,Catalysis

Link

https://pubs.acs.org/doi/pdf/10.1021/ja001870j

Reference15 articles.

1. Biochemistry of methanogenesis: a tribute to Marjory Stephenson:1998 Marjory Stephenson Prize Lecture

2. Nickel in F430

3. Crystal Structure of Methyl-Coenzyme M Reductase: The Key Enzyme of Biological Methane Formation

4. The calculations were carried out with the ADF program system, the PW91 functional, Slater-type triple-ζ plus polarization basis sets, a fine mesh for numerical evaluation of electron repulsion integrals, and tight convergence criteria for atomic forces and displacements in the geometry optimizations, and a Cray Origin 2000 computer. The ADF program is obtainable from: Scientific Computing and Modelling, Department of Theoretical Chemistry, Vrije Universiteit, 1081 HV Amsterdam, The Netherlands.

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