Home News About Us Contact Contributors Disclaimer 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 
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): 2017
Title of Journal: Chemistry-A European Journal
Volume: 23
Issue / Number: 4
Start Page: 865
End Page: 873
Document Type: Article
ID: 733837.0
Treating Subvalence Correlation Effects in Domain Based Pair Natural Orbital Coupled Cluster Calculations: An Out-of-the-Box Approach.
Authors: Bistoni, Giovanni; Riplinger, Christoph; Minenkov, Yury; Cavallo, Luigi; Auer, Alexander A.; Neese, Frank
Date of Publication (YYYY-MM-DD): 2017
Title of Journal: Journal of Chemical Theory and Computation
Volume: 13
Issue / Number: 7
Start Page: 3220
End Page: 3227
Document Type: Article
ID: 733838.0
A toolchain for the automatic generation of computer codes for correlated wavefunction calculations
Authors: Krupicka, Martin; Sivalingam, Kantharuban; Huntington, Lee; Auer, Alexander A.; Neese, Frank
Date of Publication (YYYY-MM-DD): 2017
Title of Journal: Journal of Computational Chemistry
Volume: 38
Issue / Number: 21
Start Page: 1853
End Page: 1868
Document Type: Article
ID: 733884.0
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
Chiral Spirocyclic Germanium Thiolates - An Evaluation of Their Suitability for Twin Polymerization based on A Combined Experimental and Theoretical Study
Authors: Kitschke, Philipp; Rüffer, Tobias; Lang, Heinrich; Auer, Alexander A.; Mehring, Michael
Date of Publication (YYYY-MM-DD): 2016-05-01
Title of Journal: Chemistryselect
Volume: 1
Issue / Number: 6
Start Page: 1184
End Page: 1191
Document Type: Article
ID: 733610.0
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
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.