검색결과 : 8건
| No. | Article |
|---|---|
| 1 |
The First State in the Catalytic Cycle of the Water-Oxidizing Enzyme: Identification of a Water-Derived mu-Hydroxo Bridge Lohmiller T, Krewald V, Sedoud A, Rutherford AW, Neese F, Lubitz W, Pantazis DA, Cox N Journal of the American Chemical Society, 139(41), 14412, 2017 |
| 2 |
Spin State as a Marker for the Structural Evolution of Nature's Water Splitting Catalyst Krewald V, Retegan M, Neese F, Lubitz W, Pantazis DA, Cox N Inorganic Chemistry, 55(2), 488, 2016 |
| 3 |
Ca K-Edge XAS as a Probe of Calcium Centers in Complex Systems Martin-Diaconescu V, Gennari M, Gerey B, Tsui E, Kanady J, Tran R, Pecaut J, Maganas D, Krewald V, Goure E, Duboc C, Yano J, Agapie T, Collomb MN, DeBeer S Inorganic Chemistry, 54(4), 1283, 2015 |
| 4 |
How Accurately Can Extended X-ray Absorption Spectra Be Predicted from First Principles? Implications for Modeling the Oxygen-Evolving Complex in Photosystem II Beckwith MA, Ames W, Vila FD, Krewald V, Pantazis DA, Mantel C, Pecaut J, Gennari M, Duboc C, Collomb MN, Yano J, Rehr JJ, Neese F, DeBeer S Journal of the American Chemical Society, 137(40), 12815, 2015 |
| 5 |
The Protonation States of Oxo-Bridged Mn-IV Dimers Resolved by Experimental and Computational Mn K Pre-Edge X-ray Absorption Spectroscopy Krewald V, Lassalle-Kaiser B, Boron TT, Pollock CJ, Kern J, Beckwith MA, Yachandra VK, Pecoraro VL, Yano J, Neese F, DeBeer S Inorganic Chemistry, 52(22), 12904, 2013 |
| 6 |
Experimental and Computational X-ray Emission Spectroscopy as a Direct Probe of Protonation States in Oxo-Bridged Mn-IV Dimers Relevant to Redox-Active Metalloproteins Lassalle-Kaiser B, Boron TT, Krewald V, Kern J, Beckwith MA, Delgado-Jaime MU, Schroeder H, Alonso-Mori R, Nordlund D, Weng TC, Sokaras D, Neese F, Bergmann U, Yachandra VK, DeBeer S, Pecoraro VL, Yano J Inorganic Chemistry, 52(22), 12915, 2013 |
| 7 |
On the Magnetic and Spectroscopic Properties of High-Valent Mn3CaO4 Cubanes as Structural Units of Natural and Artificial Water-Oxidizing Catalysts Krewald V, Neese F, Pantazis DA Journal of the American Chemical Society, 135(15), 5726, 2013 |
| 8 |
Theoretical Evaluation of Structural Models of the S-2 State in the Oxygen Evolving Complex of Photosystem II: Protonation States and Magnetic Interactions Ames W, Pantazis DA, Krewald V, Cox N, Messinger J, Lubitz W, Neese F Journal of the American Chemical Society, 133(49), 19743, 2011 |