Study of activation process and active site of co-based catalyst for 1, 3-butadiene polymerization using X-ray absorption spectroscopy and DFT calculations

2009 ◽  
Vol 113 (4) ◽  
pp. 2186-2190 ◽  
Author(s):  
Gwanghoon Kwag ◽  
Chulbeom Bae ◽  
Sunghyun Kim
Keyword(s):  
Dft Calculations ◽  
Absorption Spectroscopy ◽  
Active Site ◽  
Activation Process ◽  
X Ray ◽  
Butadiene Polymerization ◽  
X Ray Absorption

Facilitated Hydride Binding in an Fe−Fe Hydrogenase Active−Site Biomimic Revealed by X-ray Absorption Spectroscopy and DFT Calculations

2007 ◽  
Vol 46 (26) ◽  
pp. 11094-11105 ◽  
Author(s):  
Simone Löscher ◽  
Lennart Schwartz ◽  
Matthias Stein ◽  
Sascha Ott ◽  
Michael Haumann
Keyword(s):  
Dft Calculations ◽  
Absorption Spectroscopy ◽  
Active Site ◽  
X Ray ◽  
X Ray Absorption

The Structure of the Active Site H-Cluster of [FeFe] Hydrogenase from the Green AlgaChlamydomonas reinhardtiiStudied by X-ray Absorption Spectroscopy

Biochemistry ◽  
2009 ◽  
Vol 48 (22) ◽  
pp. 5042-5049 ◽  
Author(s):  
Sven Stripp ◽  
Oliver Sanganas ◽  
Thomas Happe ◽  
Michael Haumann
Keyword(s):  
Absorption Spectroscopy ◽  
Active Site ◽  
X Ray ◽  
X Ray Absorption

Microporous Framework Induced Synthesis of Single-Atom Dispersed Fe-N-C Acidic ORR Catalyst and Its in Situ Reduced Fe-N4 Active Site Identification Revealed by X-ray Absorption Spectroscopy

ACS Catalysis ◽  
2018 ◽  
Vol 8 (4) ◽  
pp. 2824-2832 ◽  
Author(s):  
Meiling Xiao ◽  
Jianbing Zhu ◽  
Liang Ma ◽  
Zhao Jin ◽  
Junjie Ge ◽  
...  
Keyword(s):  
Absorption Spectroscopy ◽  
Active Site ◽  
Single Atom ◽  
X Ray ◽  
Site Identification ◽  
X Ray Absorption

A Novel Binuclear [CuSMo] Cluster at the Active Site of Carbon Monoxide Dehydrogenase:  Characterization by X-ray Absorption Spectroscopy†

Biochemistry ◽  
2003 ◽  
Vol 42 (1) ◽  
pp. 222-230 ◽  
Author(s):  
Manuel Gnida ◽  
Reinhold Ferner ◽  
Lothar Gremer ◽  
Ortwin Meyer ◽  
Wolfram Meyer-Klaucke
Keyword(s):  
Carbon Monoxide ◽  
Absorption Spectroscopy ◽  
Active Site ◽  
Carbon Monoxide Dehydrogenase ◽  
X Ray ◽  
X Ray Absorption

Active site conformation in myoglobin as determined by X-ray absorption spectroscopy

1991 ◽  
Vol 10 (4) ◽  
pp. 279-286 ◽  
Author(s):  
K. Zhang ◽  
K. S. Reddy ◽  
G. Bunker ◽  
B. Chance
Keyword(s):  
Absorption Spectroscopy ◽  
Active Site ◽  
X Ray ◽  
X Ray Absorption ◽  
Active Site Conformation

X-ray Absorption Spectroscopy Comparison of the Active Site Structures of Phanerochaete chrysosporium Lignin Peroxidase Isoenzymes H2, H3, H4, H5, H8, and H10

Biochemistry ◽  
1995 ◽  
Vol 34 (40) ◽  
pp. 13176-13182 ◽  
Author(s):  
R. Sinclair ◽  
B. Copeland ◽  
I. Yamazaki ◽  
L. Powers
Keyword(s):  
Phanerochaete Chrysosporium ◽  
Absorption Spectroscopy ◽  
Lignin Peroxidase ◽  
Active Site ◽  
Peroxidase Isoenzymes ◽  
X Ray ◽  
X Ray Absorption

scholarly journals Ligand K-edge X-ray Absorption Spectroscopy and DFT Calculations on [Fe3S4]0,+Clusters:  Delocalization, Redox, and Effect of the Protein Environment

2004 ◽  
Vol 126 (51) ◽  
pp. 16868-16878 ◽  
Author(s):  
Abhishek Dey ◽  
Thorsten Glaser ◽  
Jose J.-G. Moura ◽  
Richard H. Holm ◽  
Britt Hedman ◽  
...  
Keyword(s):  
Dft Calculations ◽  
Absorption Spectroscopy ◽  
X Ray ◽  
X Ray Absorption ◽  
Protein Environment

scholarly journals Pump–probe XAS investigation of the triplet state of an Ir photosensitizer with chromenopyridinone ligands

2018 ◽  
Vol 17 (7) ◽  
pp. 896-902 ◽  
Author(s):  
Grigory Smolentsev ◽  
Kaj M. van Vliet ◽  
Nicolo Azzaroli ◽  
Jeroen A. van Bokhoven ◽  
Albert M. Brouwer ◽  
...  
Keyword(s):  
Excited State ◽  
Dft Calculations ◽  
Triplet State ◽  
Absorption Spectroscopy ◽  
Triplet Excited State ◽  
Pump Probe ◽  
X Ray ◽  
X Ray Absorption

The triplet excited state of a new Ir-based photosensitizer with two chromenopyridinone and one bipyridine-based ligands has been studied by pump–probe X-ray absorption spectroscopy (XANES) coupled with DFT calculations.

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