Home News About Us Contact Contributors Disclaimer Privacy Policy Help FAQ

Home
Search
Quick Search
Advanced
Fulltext
Browse
Collections
Persons
My eDoc
Session History
Login
Name:
Password:
Documentation
Help
Support Wiki
Direct access to
document ID:


          Display Documents


Institute:
Collection:
Print in Citation style Print version     Display:
Sort by: Display records with Fulltext only
Entries: 1-10  
 Basket 
Electronic Structure and Spin Multiplicity of Iron Tetraphenylporphyrins in Their Reduced States as Determined by a Combination of Resonance Raman Spectroscopy and Quantum Chemistry
Authors: Römelt, Christina; Ye, Shengfa; Bill, Eckhard; Weyhermüller, Thomas; van Gastel, Maurice; Neese, Frank
Date of Publication (YYYY-MM-DD): 2018
Title of Journal: Inorganic Chemistry
Volume: 57
Issue / Number: 4
Start Page: 2141
End Page: 2148
Document Type: Article
ID: 741028.0
Electronic Structure Contributions of Non-Herne Oxo-Iron(V) Complexes to the Reactivity
Authors: Mondal, Bhaskar; Neese, Frank; Bill, Eckhard; Ye, Shengfa
Date of Publication (YYYY-MM-DD): 2018
Title of Journal: Journal of the American Chemical Society
Volume: 140
Issue / Number: 30
Start Page: 9531
End Page: 9544
Document Type: Article
ID: 743380.0
Ligand Rearrangements at Fe/S Cofactors: Slow Isomerization of a Biomimetic [2Fe-2S] Cluster
Authors: Bergner, Marie; Roy, Lisa; Dechert, Sebastian; Neese, Frank; Ye, Shengfa; Meyer, Franc
Date of Publication (YYYY-MM-DD): 2017
Title of Journal: Angewandte Chemie-International Edition
Volume: 56
Issue / Number: 17
Start Page: 4882
End Page: 4886
Document Type: Article
ID: 733835.0
Nonclassical Single-State Reactivity of an Oxo-Iron(IV) Complex Confined to Triplet Pathways
Authors: Kupper, Claudia; Mondal, Bhaskar; Serrano-Plana, Joan; Klawitter, Iris; Neese, Frank; Costas, Miquel; Ye, Shengfa; Meyer, Franc
Date of Publication (YYYY-MM-DD): 2017
Title of Journal: Journal of the American Chemical Society
Volume: 139
Issue / Number: 26
Start Page: 8939
End Page: 8949
Document Type: Article
ID: 733885.0
Electronic Structure of a Formal Iron(0) Porphyrin Complex Relevant to CO2 Reduction
Authors: Römelt, Christina; Song, Jinshuai; Tarrago, Maxime; Rees, Julian A.; van Gastel, Maurice; Weyhermüller, Thomas; DeBeer, Serena; Bill, Eckhard; Neese, Frank; Ye, Shengfa
Date of Publication (YYYY-MM-DD): 2017
Title of Journal: Inorganic Chemistry
Volume: 56
Issue / Number: 8
Start Page: 4745
End Page: 4750
Document Type: Article
ID: 733997.0
Toward Rational Design of 3d Transition Metal Catalysts for CO2 Hydrogenation Based on Insights into Hydricity-Controlled Rate-Determining Steps
Authors: Mondal, Bhaskar; Neese, Frank; Ye, Shengfa
Date of Publication (YYYY-MM-DD): 2016-06-06
Title of Journal: Inorganic Chemistry
Volume: 55
Issue / Number: 11
Start Page: 5438
End Page: 5444
Document Type: Article
ID: 722490.0
Structural and Spectroscopic Characterization of Rhenium Complexes Containing Neutral, Monoanionic, and Dianionic Ligands of 2,2 '-Bipyridines and 2,2 ':6,2 ''-Terpyridines: An Experimental and Density Functional Theory (DFT)-Computational Study
Authors: Wang, Mei; Weyhermüller, Thomas; Bill, Eckhard; Ye, Shengfa; Wieghardt, Karl Ernst
Date of Publication (YYYY-MM-DD): 2016-05-16
Title of Journal: Inorganic Chemistry
Volume: 55
Issue / Number: 10
Start Page: 5019
End Page: 5036
Document Type: Article
ID: 722506.0
Unravelling the Molecular Origin of the Regiospecificity in Extradiol Catechol Dioxygenases.
Authors: Gemma, J. Christian; Neese, Frank; Ye, Shengfa
Date of Publication (YYYY-MM-DD): 2016
Title of Journal: Inorganic Chemistry
Volume: 55
Issue / Number: 8
Start Page: 3853
End Page: 3864
Document Type: Article
ID: 720454.0
Electronic Structures of the [Fe(N2)(SiPiPr 3)]+1/0/-1 Electron Transfer Series: A Counterintuitive Correlation between Isomer Shifts and Oxidation States
Authors: Ye, Shengfa; Bill, Eckhard; Neese, Frank
Date of Publication (YYYY-MM-DD): 2016
Title of Journal: Inorganic Chemistry
Volume: 55
Issue / Number: 7
Start Page: 3468
End Page: 3474
Document Type: Article
ID: 720466.0
Spectroscopic Evidence for the Two C-H-Cleaving Intermediates of Aspergillus nidulans Isopenicillin N Synthase
Authors: Tamanaha, Esta; Zhang, Bo; Guo, Yisong; Chang, Wei-chen; Barr, Eric W.; Xing, Gang; St Clair, Jennifer; Ye, Shengfa; Neese, Frank; Bollinger, J. Martin; Krebs, Carsten
Date of Publication (YYYY-MM-DD): 2016
Title of Journal: Journal of the American Chemical Society
Volume: 138
Issue / Number: 28
Start Page: 8862
End Page: 8874
Document Type: Article
ID: 722523.0
Entries: 1-10  
The scope and number of records on eDoc is subject to the collection policies defined by each institute - see "info" button in the collection browse view.