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Entries: 1-9  
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The role of dispersion type metal center dot center dot center dot pi interaction in the enantiotropic phase transition of two polymorphs of tris-(thienyl)bismuthine
Authors: Preda, A. M.; Schneider, Wolfgang B.; Schaarschmidt, D.; Lang, H.; Mertens, L.; Auer, Alexander A.; Mehring, M.
Date of Publication (YYYY-MM-DD): 2017
Title of Journal: Dalton Transactions
Volume: 46
Issue / Number: 39
Start Page: 13492
End Page: 13501
Document Type: Article
ID: 735253.0
Decomposition of Intermolecular Interaction Energies within the Local Pair Natural Orbital Coupled Cluster Framework
Authors: Schneider, Wolfgang B.; Bistoni, Giovanni; Sparta, Manuel; Saitow, Masaaki; Riplinger, Christoph; Auer, Alexander A.; Neese, Frank
Date of Publication (YYYY-MM-DD): 2016
Title of Journal: Journal of Chemical Theory and Computation
Volume: 12
Issue / Number: 10
Start Page: 4778
End Page: 4792
Document Type: Article
ID: 722725.0
Quantenchemie in elektrochemischen Prozessen -
Untersuchungen zu Stabilität, Reaktivität und Ladungsübertragung bei der platinkatalysierten
Sauerstoffreduktion
Authors: Schneider, Wolfgang B.
Name of University: Technischen Universität Chemnitz
Place of University: Chemnitz
Date of Approval (YYYY-MM-DD): 2015-04-17
Document Type: PhD-Thesis
ID: 713883.0
Intramolecular C-O Insertion of a Germanium(II) Salicyl Alcoholate: A Combined Experimental and Theoretical Study
Authors: Kitschke, Philipp; Rüffer, Tobias; Korb, Marcus; Lang, Heinrich; Schneider, Wolfgang B.; Auer, Alexander A.; Mehring, Michael
Date of Publication (YYYY-MM-DD): 2015
Title of Journal: European Journal of Inorganic Chemistry
Issue / Number: 33
Start Page: 5467
End Page: 5479
Document Type: Article
ID: 712880.0
Constant chemical potential approach for quantum chemical calculations in electrocatalysis.
Authors: Schneider, Wolfgang B.; Auer, Alexander A.
Date of Publication (YYYY-MM-DD): 2014
Title of Journal: Beilstein Journal of Nanotechnology
Volume: 5
Start Page: 668
End Page: 676
Document Type: Article
ID: 708916.0
Modelling electrified interfaces in quantum chemistry: constant charge vs. constant potential
Authors: Benedikt, Udo; Schneider, Wolfgang B.; Auer, Alexander A.
Date of Publication (YYYY-MM-DD): 2013
Title of Journal: Physical Chemistry Chemical Physics
Volume: 15
Issue / Number: 8
Start Page: 2712
End Page: 2724
Document Type: Article
ID: 676742.0
The impact of spectator species on the interaction of H2O2 with platinum - implications for the oxygen reduction reaction pathways
Authors: Katsounaros, Ioannis; Schneider, Wolfgang B.; Meier, Josef C.; Benedikt, Udo; Biedermann, P. Ulrich; Cuesta, Angel; Auer, Alexander A.; Mayrhofer, Karl J. J.
Date of Publication (YYYY-MM-DD): 2013
Title of Journal: Physical Chemistry Chemical Physics
Volume: 15
Start Page: 8058
End Page: 8068
Document Type: Article
ID: 681946.0
Interaction of Platinum Nanoparticles with Graphitic Carbon Structures: A Computational Study
Authors: Schneider, Wolfgang B.; Benedikt, Udo; Auer, Alexander A.
Date of Publication (YYYY-MM-DD): 2013
Title of Journal: ChemPhysChem
Volume: 14
Issue / Number: I
Start Page: 2984
End Page: 2989
Document Type: Article
ID: 683858.0
Computational Study of Pt/Co Core-Shell Nanoparticles: Segregation, Adsorbates and Catalyst Activity
Authors: Kettner, M.; Schneider, Wolfgang B.; Auer, Alexander A.
Date of Publication (YYYY-MM-DD): 2012-06-14
Title of Journal: Journal of Physical Chemistry C
Volume: 116
Issue / Number: 29
Start Page: 15432
End Page: 15438
Document Type: Article
ID: 633586.0
Entries: 1-9  
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