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Entries: 1-10  
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The furan microsolvation blind challenge for quantum chemical methods: First steps
Authors: Gottschalk, Hannes C.; Poblotzki, Anja; Suhm, Martin; Al-Mogren, Muneerah; Antony, Jens; Auer, Alexander A.; Baptista, Leonardo; Benoit, David M.; Bistoni, Giovanni; Bohle, Fabian; Dahmani, Rahma; Firaha, Dzmitry; Grimme, Stefan; Hansen, Andreas; Harding, Michael E.; Hochlaf, Majdi; Holzer, Christof; Jansen, Georg; Klopper, Wim; Kopp, Wassja; Kröger, Leif; Leonhard, Kai; Mouhib, Halima; Neese, Frank; Pereira, Max N.; Ulusoy, Inga; Wuttke, Axel; Mata, Ricardo
Date of Publication (YYYY-MM-DD): 2018-01-07
Title of Journal: Journal of Chemical Physics
Volume: 148
Issue / Number: 1
Start Page: 014301-1
End Page: 014301-13
Sequence Number of Article: 014301
Document Type: Article
ID: 735574.0
An Octanuclear Metallosupramolecular Cage Designed To Exhibit Spin-Crossover Behavior
Authors: Struch, Niklas; Bannwarth, Christoph; Ronson, Tanya K.; Lorenz, Yvonne; Mienert, Bernd; Wagner, Norbert; Engeser, Marianne; Bill, Eckhard; Puttreddy, Rakesh; Rissanen, Kari; Beck, Johannes; Grimme, Stefan; Nitschke, Jonathan R.; Luetzen, Aarne
Date of Publication (YYYY-MM-DD): 2017
Title of Journal: Angewandte Chemie-International Edition
Volume: 56
Issue / Number: 18
Start Page: 4930
End Page: 4935
Document Type: Article
ID: 734281.0
Effect of Conjugation Pathway in Metal-Free Room-Temperature Dual Singlet Triplet Emitters for Organic Light-Emitting Diodes
Authors: Ratzke, Wolfram; Schmitt, Lisa; Matsuoka, Hideto; Bannwarth, Christoph; Retegan, Marius; Bange, Sebastian; Klemm, Philippe; Neese, Frank; Grimme, Stefan; Schiemann, Olav; Lupton, John M.; Höger, Sigurt
Date of Publication (YYYY-MM-DD): 2016
Title of Journal: Journal of Physical Chemistry Letters
Volume: 7
Issue / Number: 22
Start Page: 4802
End Page: 4808
Document Type: Article
ID: 722722.0
Open-Shell First-Row Transition-Metal Polyhydride Complexes Based on the fac-[RuH3(PR3)3]- Building Block
Authors: Plois, Markus; Hujo, Waldemar; Grimme, Stefan; Schwickert, Christian; Bill, Eckhard; de Bruin, Bas; Pöttgen, Rainer; Wolf, Robert
Date of Publication (YYYY-MM-DD): 2013
Title of Journal: Angewandte Chemie-International Edition
Volume: 52
Start Page: 1314
End Page: 1318
Document Type: Article
ID: 682108.0
Natural product-inspired cascade synthesis yields modulators of centrosome integrity
Authors: Dückert, Heiko; Pries, Verena; Khedkar, Vivek; Menninger, Sascha; Bruss, Hanna; Bird, Alexander W.; Maliga, Zoltan; Brockmeyer, Andreas; Janning, Petra; Hyman, Anthony; Grimme, Stefan; Schürmann, Markus; Preut, Hans; Hübel, Katja; Ziegler, Slava; Kumar, Kamal; Waldmann, Herbert
Date of Publication (YYYY-MM-DD): 2012-02
Title of Journal: Nature Chemical Biology
Volume: 8
Start Page: 179
End Page: 184
Sequence Number of Article: 1
Document Type: Article
ID: 576210.0
Natural product-inspired cascade synthesis yields modulators of centrosome integrity.
Authors: Dückert, Heiko; Pries, Verena; Khedkar, Vivek; Menninger, Sascha; Bruss, Hanna; Bird, Alexander W.; Maliga, Zoltan; Brockmeyer, Andreas; Janning, Petra; Hyman, Anthony A.; Grimme, Stefan; Schürmann, Markus; Preut, Hans; Hübel, Katja; Ziegler, Slava; Kumar, Kamal; Waldmann, Herbert
Date of Publication (YYYY-MM-DD): 2012
Title of Journal: Nature Chemical Biology
Volume: 8
Issue / Number: 2
Start Page: 179
End Page: 184
Document Type: Article
ID: 645179.0
Identification of Thiazolidinones Spiro-Fused to Indolin-2-ones as Potent and Selective Inhibitors of the Mycobacterium tuberculosis Protein Tyrosine Phosphatase B
Authors: Vintonyak, Viktor V.; Warburg, Karin; Kruse, Holger; Grimme, Stefan; Hübel, Katja; Rauh, Daniel; Waldmann, Herbert
Date of Publication (YYYY-MM-DD): 2010-08
Title of Journal: Angewandte Chemie
Volume: 122
Issue / Number: 34
Start Page: 6038
End Page: 6041
Sequence Number of Article: 1
Document Type: Article
ID: 494969.0
Identification of Thiazolidinones Spiro-Fused to Indolin-2-ones as Potent and Selective Inhibitors of the Mycobacterium tuberculosis Protein Tyrosine Phosphatase B
Authors: Vintonyak, Viktor V.; Warburg, Karin; Kruse, Holger; Grimme, Stefan; Hübel, Katja; Rauh, Daniel; Waldmann, Herbert
Date of Publication (YYYY-MM-DD): 2010
Title of Journal: Angewandte Chemie International Edition
Volume: 49
Issue / Number: 34
Start Page: 5902
End Page: 5905
Sequence Number of Article: 1
Document Type: Article
ID: 494961.0
Accurate Theoretical Chemistry with Coupled Pair Models
Authors: Neese, Frank; Hansen, Andreas; Wennmohs, Frank; Grimme, Stefan
Date of Publication (YYYY-MM-DD): 2009
Title of Journal: Accounts of Chemical Research
Volume: 42
Start Page: 641
End Page: 648
Document Type: Article
ID: 460329.0
Assessment of Orbital-Optimized, Spin-Component Scaled Second-Order Many-Body Perturbation Theory for Thermochemistry and Kinetics
Authors: Neese, Frank; Schwabe, Tobias; Kossmann, Simone; Schirmer, Birgitta; Grimme, Stefan
Date of Publication (YYYY-MM-DD): 2009
Title of Journal: Journal of Chemical Theory and Computation
Volume: 5
Start Page: 3060
End Page: 3073
Document Type: Article
ID: 460340.0
Entries: 1-10  
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