Computational Chemical Analysis of FeFe Hydrogenase H-Cluster Analogues To Discern Catalytically Relevant Features of the Natural Diatomic Ligand Configuration

Christopher Chang

doi:10.1021/jp112296d

Computational Chemical Analysis of FeFe Hydrogenase H-Cluster Analogues To Discern Catalytically Relevant Features of the Natural Diatomic Ligand Configuration

Christopher Chang

Research output: Contribution to journal › Article › peer-review

Original language	American English
Pages (from-to)	8691-8704
Number of pages	14
Journal	Journal of Physical Chemistry A
Volume	115
Issue number	31
DOIs	https://doi.org/10.1021/jp112296d
State	Published - 2011

NREL Publication Number

NREL/JA-5900-51748

Keywords

chemical analysis
computational science
hydrogen production

Access to Document

10.1021/jp112296d

Cite this

@article{ab678247787f43cdbb4e339e6bd2f29e,

title = "Computational Chemical Analysis of FeFe Hydrogenase H-Cluster Analogues To Discern Catalytically Relevant Features of the Natural Diatomic Ligand Configuration",

keywords = "chemical analysis, computational science, hydrogen production",

author = "Christopher Chang",

year = "2011",

doi = "10.1021/jp112296d",

language = "American English",

volume = "115",

pages = "8691--8704",

journal = "Journal of Physical Chemistry A",

issn = "1089-5639",

publisher = "American Chemical Society",

number = "31",

}

TY - JOUR

T1 - Computational Chemical Analysis of FeFe Hydrogenase H-Cluster Analogues To Discern Catalytically Relevant Features of the Natural Diatomic Ligand Configuration

AU - Chang, Christopher

PY - 2011

Y1 - 2011

KW - chemical analysis

KW - computational science

KW - hydrogen production

U2 - 10.1021/jp112296d

DO - 10.1021/jp112296d

M3 - Article

SN - 1089-5639

VL - 115

SP - 8691

EP - 8704

JO - Journal of Physical Chemistry A

JF - Journal of Physical Chemistry A

IS - 31

ER -