333 related articles for article (PubMed ID: 12870970)
1. Density functional theory investigation of the active site of [Fe]-hydrogenases: effects of redox state and ligand characteristics on structural, electronic, and reactivity properties of complexes related to the [2Fe]H subcluster.
Bruschi M; Fantucci P; De Gioia L
Inorg Chem; 2003 Jul; 42(15):4773-81. PubMed ID: 12870970
[TBL] [Abstract][Full Text] [Related]
2. DFT investigation of structural, electronic, and catalytic properties of diiron complexes related to the [2Fe](H) subcluster of Fe-only hydrogenases.
Bruschi M; Fantucci P; De Gioia L
Inorg Chem; 2002 Mar; 41(6):1421-9. PubMed ID: 11896710
[TBL] [Abstract][Full Text] [Related]
3. The active site of the [FeFe]-hydrogenase from Desulfovibrio desulfuricans. II. Redox properties, light sensitivity and CO-ligand exchange as observed by infrared spectroscopy.
Roseboom W; De Lacey AL; Fernandez VM; Hatchikian EC; Albracht SP
J Biol Inorg Chem; 2006 Jan; 11(1):102-18. PubMed ID: 16323019
[TBL] [Abstract][Full Text] [Related]
4. Combined spectroscopic/computational study of binuclear Fe(I)-Fe(I) complexes: implications for the fully-reduced active-site cluster of Fe-only hydrogenases.
Fiedler AT; Brunold TC
Inorg Chem; 2005 Mar; 44(6):1794-809. PubMed ID: 15762706
[TBL] [Abstract][Full Text] [Related]
5. Catalysis of H(2)/D(2) scrambling and other H/D exchange processes by [Fe]-hydrogenase model complexes.
Zhao X; Georgakaki IP; Miller ML; Mejia-Rodriguez R; Chiang CY; Darensbourg MY
Inorg Chem; 2002 Jul; 41(15):3917-28. PubMed ID: 12132916
[TBL] [Abstract][Full Text] [Related]
6. Enzymatic mechanism of Fe-only hydrogenase: density functional study on H-H making/breaking at the diiron cluster with concerted proton and electron transfers.
Zhou T; Mo Y; Liu A; Zhou Z; Tsai KR
Inorg Chem; 2004 Feb; 43(3):923-30. PubMed ID: 14753812
[TBL] [Abstract][Full Text] [Related]
7. Modeling the active sites in metalloenzymes. 3. Density functional calculations on models for [Fe]-hydrogenase: structures and vibrational frequencies of the observed redox forms and the reaction mechanism at the Diiron Active Center.
Cao Z; Hall MB
J Am Chem Soc; 2001 Apr; 123(16):3734-42. PubMed ID: 11457105
[TBL] [Abstract][Full Text] [Related]
8. Requirements for functional models of the iron hydrogenase active site: D2/H2O exchange activity in ((mu-SMe)(mu-pdt)[Fe(CO)2(PMe3)]2+)[BF4-].
Georgakaki IP; Miller ML; Darensbourg MY
Inorg Chem; 2003 Apr; 42(8):2489-94. PubMed ID: 12691553
[TBL] [Abstract][Full Text] [Related]
9. Series of mixed valent Fe(II)Fe(I) complexes that model the Hox state of [FeFe]hydrogenase: redox properties, density-functional theory investigation, and reactivities with extrinsic CO.
Thomas CM; Liu T; Hall MB; Darensbourg MY
Inorg Chem; 2008 Aug; 47(15):7009-24. PubMed ID: 18597449
[TBL] [Abstract][Full Text] [Related]
10. Density functional theory investigation of the active site of Fe-hydrogenases. systematic study of the effects of redox state and ligands hardness on structural and electronic properties of complexes related to the [2Fe](H) subcluster.
Bruschi M; Fantucci P; De Gioia L
Inorg Chem; 2004 Jun; 43(12):3733-41. PubMed ID: 15180430
[TBL] [Abstract][Full Text] [Related]
11. A density functional theory study on the active center of Fe-only hydrogenase: characterization and electronic structure of the redox states.
Liu ZP; Hu P
J Am Chem Soc; 2002 May; 124(18):5175-82. PubMed ID: 11982382
[TBL] [Abstract][Full Text] [Related]
12. Time-resolved vibrational spectroscopy of [FeFe]-hydrogenase model compounds.
Bingaman JL; Kohnhorst CL; Van Meter GA; McElroy BA; Rakowski EA; Caplins BW; Gutowski TA; Stromberg CJ; Webster CE; Heilweil EJ
J Phys Chem A; 2012 Jul; 116(27):7261-71. PubMed ID: 22612846
[TBL] [Abstract][Full Text] [Related]
13. The electronic structure of the H-cluster in the [FeFe]-hydrogenase from Desulfovibrio desulfuricans: a Q-band 57Fe-ENDOR and HYSCORE study.
Silakov A; Reijerse EJ; Albracht SP; Hatchikian EC; Lubitz W
J Am Chem Soc; 2007 Sep; 129(37):11447-58. PubMed ID: 17722921
[TBL] [Abstract][Full Text] [Related]
14. A QM/MM investigation of the activation and catalytic mechanism of Fe-only hydrogenases.
Greco C; Bruschi M; De Gioia L; Ryde U
Inorg Chem; 2007 Jul; 46(15):5911-21. PubMed ID: 17602468
[TBL] [Abstract][Full Text] [Related]
15. Models of the iron-only hydrogenase: a comparison of chelate and bridge isomers of Fe2(CO)4{Ph2PN(R)PPh2}(μ-pdt) as proton-reduction catalysts.
Ghosh S; Hogarth G; Hollingsworth N; Holt KB; Richards I; Richmond MG; Sanchez BE; Unwin D
Dalton Trans; 2013 May; 42(19):6775-92. PubMed ID: 23503781
[TBL] [Abstract][Full Text] [Related]
16. Mechanism of H2 production by the [FeFe]H subcluster of di-iron hydrogenases: implications for abiotic catalysts.
Sbraccia C; Zipoli F; Car R; Cohen MH; Dismukes GC; Selloni A
J Phys Chem B; 2008 Oct; 112(42):13381-90. PubMed ID: 18826265
[TBL] [Abstract][Full Text] [Related]
17. Ligand versus metal protonation of an iron hydrogenase active site mimic.
Eilers G; Schwartz L; Stein M; Zampella G; de Gioia L; Ott S; Lomoth R
Chemistry; 2007; 13(25):7075-84. PubMed ID: 17566128
[TBL] [Abstract][Full Text] [Related]
18. Structural and electronic properties of the [FeFe] hydrogenase H-cluster in different redox and protonation states. A DFT investigation.
Bruschi M; Greco C; Fantucci P; De Gioia L
Inorg Chem; 2008 Jul; 47(13):6056-71. PubMed ID: 18540595
[TBL] [Abstract][Full Text] [Related]
19. Di/mono-nuclear iron(I)/(II) complexes as functional models for the 2Fe2S subunit and distal Fe moiety of the active site of [FeFe] hydrogenases: protonations, molecular structures and electrochemical properties.
Gao S; Fan J; Sun S; Song F; Peng X; Duan Q; Jiang D; Liang Q
Dalton Trans; 2012 Oct; 41(39):12064-74. PubMed ID: 22911248
[TBL] [Abstract][Full Text] [Related]
20. Bridging-hydride influence on the electronic structure of an [FeFe] hydrogenase active-site model complex revealed by XAES-DFT.
Leidel N; Hsieh CH; Chernev P; Sigfridsson KG; Darensbourg MY; Haumann M
Dalton Trans; 2013 Jun; 42(21):7539-54. PubMed ID: 23446996
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]