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Tensor representation techniques for full configuration interaction: A Fock space approach using the canonical product format
Authors: Böhm, Karl-Heinz; Auer, Alexander A.; Espig, Mike
Date of Publication (YYYY-MM-DD): 2016-06-28
Title of Journal: Journal of Chemical Physics
Volume: 144
Issue / Number: 24
Start Page: 244102-1
End Page: 244102-13
Sequence Number of Article: 244102
Document Type: Article
ID: 722472.0
Porous Ge@C materials via twin polymerization of germanium(II) salicyl alcoholates for Li-ion batteries
Authors: Kitschke, Philipp; Walter, Marc; Rüffer, Tobias; Seifert, Andreas; Speck, Florian; Seyller, Thomas; Spange, Stefan; Lang, Heinrich; Auer, Alexander A.; Kovalenko, Maksym V.; Mehring, Michael
Date of Publication (YYYY-MM-DD): 2016
Title of Journal: Journal of Materials Chemistry A
Volume: 4
Issue / Number: 7
Start Page: 2705
End Page: 2719
Document Type: Article
ID: 715712.0
Comparison of fully internally and strongly contracted multireference configuration interaction procedures.
Authors: Sivalingam, Kantharuban; Krupicka, Martin; Auer, Alexander A.; Neese, Frank
Date of Publication (YYYY-MM-DD): 2016
Title of Journal: The Journal of Chemical Physics
Volume: 145
Issue / Number: 5
Start Page: 054104
End Page: 054104
Document Type: Article
ID: 722522.0
Understanding the role of dispersion in Frustrated Lewis Pairs and classical Lewis adducts: a Domain Based Local Pair Natural Orbital Coupled Cluster study.
Authors: Bistoni, Giovanni; Auer, Alexander A.; Neese, Frank
Date of Publication (YYYY-MM-DD): 2016
Title of Journal: Chemistry A European Journal
Volume: 22
Start Page: 1
End Page: 10
Document Type: Article
ID: 722686.1
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
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
From a Germylene to an "Inorganic Adamantane": [{Ge-4(-O)(2)(-OH)(4)}{W(CO)(5)}(4)]·4THF
Authors: Kitschke, Philipp; Mertens, Lutz; Rüffer, Tobias; Lang, Heinrich; Auer, Alexander A.; Mehring, Michael
Date of Publication (YYYY-MM-DD): 2015
Title of Journal: European Journal of Inorganic Chemistry
Issue / Number: 30
Start Page: 4996
End Page: 5002
Document Type: Article
ID: 712881.0
Highly Lewis Acidic Arylboronate Esters Capable of Colorimetric Turn-On Response
Authors: Oehlke, Alexander; Auer, Alexander A.; Schreiter, Katja; Friebe, Nadine; Spange, Stefan
Date of Publication (YYYY-MM-DD): 2015
Title of Journal: Chemistry-A European Journal
Volume: 21
Issue / Number: 49
Start Page: 17890
End Page: 17896
Document Type: Article
ID: 713098.0
Identifying Stereoisomers by ab-initio Calculation of Secondary Isotope Shifts on NMR Chemical Shieldings
Authors: Böhm, Karl-Heinz; Banert, Klaus; Auer, Alexander A.
Date of Publication (YYYY-MM-DD): 2014
Title of Journal: Molecules
Volume: 19
Issue / Number: 4
Start Page: 5301
End Page: 5312
Document Type: Article
ID: 697873.0
Thermally Induced Twin Polymerization of 4H-1,3,2-Benzodioxasilines
Authors: Kempe, Patrick; Löschner, Tina; Auer, Alexander A.; Seifert, Andreas; Cox, Gerhard; Spange, Stefan
Date of Publication (YYYY-MM-DD): 2014
Title of Journal: Chemistry-A European Journal
Volume: 20
Issue / Number: 26
Start Page: 8040
End Page: 8053
Document Type: Article
ID: 705386.0
Entries: 1-10  
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