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Entries: 1-10  
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Application of the Method of Increments to the Adsorption of H2S on Graphene
Authors: Paulus, B.; Rosciszewski, K.
Date of Publication (YYYY-MM-DD): 2009-11-05
Title of Journal: International Journal of Quantum Chemistry
Volume: 109
Issue / Number: 13 Sp. Iss. Sp. Iss. SI
Start Page: 3055
End Page: 3062
Document Type: Article
ID: 459118.0
First-principles study of the connection between structure and electronic properties of gallium
Authors: Voloshina, E.; Rosciszewski, K.; Paulus, B.
Date of Publication (YYYY-MM-DD): 2009-01
Title of Journal: Physical Review B
Volume: 79
Issue / Number: 4
Sequence Number of Article: 045113
Document Type: Article
ID: 460241.0
Hartree-Fock ground-state properties for group I alkali and the group 11 noble metals
Authors: Paulus, B.; Rosciszewski, K.
Date of Publication (YYYY-MM-DD): 2007
Title of Journal: Journal of Physiccs Condensed Matter
Volume: 19
Issue / Number: 34
Sequence Number of Article: 346217
Document Type: Article
ID: 318793.0
 
Full text / Content available
Lattice dynamics for fcc rare gas solids Ne, Ar, and Kr from ab initio potentials
Authors: Moyano, G.E.; Schwerdtfeger, P.; Rosciszewski, K.
Date of Publication (YYYY-MM-DD): 2007
Title of Journal: Physical Review B
Volume: 75
Issue / Number: 2
Sequence Number of Article: 024101
Document Type: Article
ID: 336858.0
The lattice structure of mercury: Influence of electronic correlation
Authors: Gaston, N.; Paulus, B.; Rosciszewski, K.; Schwerdtfeger, P.; Stoll, H.
Date of Publication (YYYY-MM-DD): 2006
Title of Journal: Physical Review B
Volume: 74
Issue / Number: 1
Sequence Number of Article: 094102
Document Type: Article
ID: 278141.0
 
Full text / Content available
Convergence of the ab initio many-body expansion for the cohesive energy of solid mercury
Authors: Paulus, B.; Rosciszewski, K.; Gaston, N.; Schwerdtfeger, P.; Stoll, H.
Date of Publication (YYYY-MM-DD): 2004-10
Title of Journal: Physical Review B
Volume: 70
Issue / Number: 16
Sequence Number of Article: 165106
Document Type: Article
ID: 220948.0
Metallic bonding due to electronic correlations: a quantum chemical ab initio calculation of the cohesive energy of mercury
Authors: Paulus, B.; Rosciszewski, K.
Date of Publication (YYYY-MM-DD): 2004-08-11
Title of Journal: Chemical Physics Letters
Volume: 394
Issue / Number: 1-3
Start Page: 96
End Page: 100
Document Type: Article
ID: 220946.0
Ab initio incremental correlation treatment with non-orthogonal localized orbitals
Authors: Paulus, B.; Rosciszewski, K.; Stoll, H.; Birkenheuer, U.
Date of Publication (YYYY-MM-DD): 2003-12-15
Title of Journal: Physical Chemistry Chemical Physics
Volume: 5
Issue / Number: 24
Start Page: 5523
End Page: 5529
Document Type: Article
ID: 220125.0
Ab initio calculation of the metal-insulator transition in lithium rings
Authors: Paulus, B.; Rosciszewski, K.; Fulde, P.; Stoll, H.
Date of Publication (YYYY-MM-DD): 2003-12
Title of Journal: Physical Review B
Volume: 68
Issue / Number: 23
Sequence Number of Article: 235115
Document Type: Article
ID: 220147.0
Influence of three-body forces and anharmonic effects on the zero-point energy of rare-gas crystals
Authors: Rosciszewski, K.; Paulus, B.
Date of Publication (YYYY-MM-DD): 2002-09-01
Title of Journal: Physical Review B
Volume: 66
Issue / Number: 9
Sequence Number of Article: 092102
Document Type: Article
ID: 478832.0
Entries: 1-10  
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