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          Institute: MPI für Kohlenforschung     Collection: Publikationen MPI für Kohlenforschung     Display Documents

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Entries: 1-10  
A new HRSEM approach to observe fine structures of novel nanostructured materials
Authors: Asahina, S.; Uno, S.; Suga, M.; Stevens, S. M.; Klingstedt, M.; Okano, Y.; Kudo, M.; Schuth, F.; Anderson, M. W.; Adschiri, T.; Terasaki, O.
Date of Publication (YYYY-MM-DD): 2011
Title of Journal: Microporous and Mesoporous Materials
Volume: 146
Start Page: 11
End Page: 17
Document Type: Article
ID: 577302.0
Exploring the Reactivity of Carbon(0)/Borane-Based Frustrated Lewis Pairs
Authors: Alcarazo, M.; Gomez, C.; Holle, S.; Goddard, R.
Date of Publication (YYYY-MM-DD): 2010
Title of Journal: Angewandte Chemie
Volume: 122
Start Page: 5924
End Page: 5927
Document Type: Article
ID: 533644.0
A Local Pair Natural Orbital Coupled Cluster Study of Rh Catalyzed Asymmetric Olefin Hydrogenation
Authors: Anoop, A.; Thiel, W.; Neese, F.
Date of Publication (YYYY-MM-DD): 2010
Title of Journal: Journal of Chemical Theory and Computation
Volume: 6
Start Page: 3137
End Page: 3144
Document Type: Article
ID: 534739.0
Influence of the LOV Domain on Low-Lying Excited States of Flavin: A Combined Quantum-Mechanics/Molecular-Mechanics Investigation
Authors: Salzmann, S.; Ramos da Silva, M.; Thiel, W.; Marian, C. M.
Date of Publication (YYYY-MM-DD): 2009
Title of Journal: Journal of Physical Chemistry B
Volume: 113
Start Page: 15610
End Page: 15618
Document Type: Article
ID: 452321.0
Complex Rare-Earth Aluminum Hydrides: Mechanochemical Preparation, Crystal Structure and Potential for Hydrogen Storage
Authors: Weidenthaler, C.; Pommerin, A.; Felderhoff, M.; Sun, W. H.; Wolverton, C.; Bogdanović, B.; Schüth, F.
Date of Publication (YYYY-MM-DD): 2009
Title of Journal: Journal of the American Chemical Society
Volume: 131
Start Page: 16735
End Page: 16743
Document Type: Article
ID: 452330.0
A Single Amino Acid Substitution Converts Benzophenone Synthase into Phenylpyrone Synthase
Authors: Klundt, T.; Bocola, M.; Lütge, M.; Beuerle, T.; Liu, B. Y.; Beerhues, L.
Date of Publication (YYYY-MM-DD): 2009
Title of Journal: Journal of Biological Chemistry
Volume: 284
Start Page: 30957
End Page: 30964
Document Type: Article
ID: 460109.0
A General Boundary Potential for Hybrid QM/MM Simulations of Solvated Biomolecular Systems
Authors: Benighaus, T.; Thiel, W.
Date of Publication (YYYY-MM-DD): 2009
Title of Journal: Journal of Chemical Theory and Computation
Volume: 5
Start Page: 3114
End Page: 3128
Document Type: Article
ID: 460113.0
A Variationally Computed T = 300 K Line List for NH₃
Authors: Yurchenko, S. N.; Barber, R. J.; Yachmenev, A.; Thiel, W.; Jensen, P.; Tennyson, J.
Date of Publication (YYYY-MM-DD): 2009
Title of Journal: Journal of Physical Chemistry A
Volume: 113
Start Page: 11845
End Page: 11855
Document Type: Article
ID: 460119.0
Field emission from crystalline niobium
Authors: Dangwal Pandey, A.; Müller, G.; Reschke, D.; Singer, X.
Date of Publication (YYYY-MM-DD): 2009
Title of Journal: Physical Review Special Topics - Accelerators and Beams
Volume: 12
Start Page: 023501-1
End Page: 023501-8
Document Type: Article
ID: 475086.0
Simulation of 59Co NMR chemical shifts in aqueous solution
Authors: Bühl, M.; Grigoleit, S.; Kabrede, H.; Mauschick, F. T.
Date of Publication (YYYY-MM-DD): 2006
Title of Journal: Chemistry-A European Journal
Volume: 12
Start Page: 477
End Page: 488
Document Type: Article
ID: 265867.0
Entries: 1-10  
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