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Entries: 1-10  
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The interplay between surface-water and hydrogen bonding in a water adlayer on Pt(111) and Ag(111)
Authors: Delle Site, Luigi; Ghiringhelli, L. M.; Andreussi, O.; Donadio, D.; Parrinello, M.
Date of Publication (YYYY-MM-DD): 2007
Title of Journal: Journal of Physics-Condensed Matter
Volume: 19
Issue / Number: 24
Sequence Number of Article: 242101
Document Type: Article
ID: 319011.0
Hydrogen strorage in carbon nanotubes
Authors: Becher, M.; Haluska, M.; Hirscher, M.; Quintel, A.; Skakalova, V.; Dettlaff-Weglikovska, U.; Chen, X; Hulman, M.; Choi, Y.; Roth, S.; Meregalli, V.; Parrinello, M.; Ströbel, R.; Jörissen, L.; Kappes, M.; Fink, J.; Züttel, A.; Stepanek, I.; Bernier, P.
Date of Publication (YYYY-MM-DD): 2003
Title of Journal: Comptes Rendus Physique
Volume: 4
Start Page: 1055
End Page: 1062
Document Type: Article
ID: 60396.0
Hydrogen storage in carbon nanotubes
Authors: Becher, M.; Haluska, M.; Hirscher, M.; Quintel, A.; Skákalová, V.; Dettlaff-Weglikowska, U.; Chen, X.; Hulman, M.; Choi, Y.; Roth, S.; Meregalli, V.; Parrinello, M.; Ströbel, R.; Jörissen, L.; Kappes, M. M.; Finke, J.; Züttel, A.; Stepanek, I.; Bernier, P.
Date of Publication (YYYY-MM-DD): 2003
Title of Journal: Comptes Rendus Physique
Volume: 4
Start Page: 1055
End Page: 1062
Document Type: Article
ID: 124475.0
Ab-initio study of NMR chemical shifts of water under normal and supercritical conditions
Authors: Sebastiani, Daniel; Parrinello, M.
Date of Publication (YYYY-MM-DD): 2002-08-16
Title of Journal: ChemPhysChem
Volume: 3
Issue / Number: 8
Start Page: 675
End Page: 679
Document Type: Article
ID: 28643.0
NMR chemical shifts in periodic systems from first principles
Authors: Sebastiani, Daniel; Goward, G.; Schnell, Ingo; Parrinello, M.
Date of Publication (YYYY-MM-DD): 2002-08-01
Title of Journal: Computer Physics Communications
Volume: 147
Issue / Number: 1-2
Start Page: 707
End Page: 710
Document Type: Article
ID: 28631.0
Structure and chemical activity of point defects on MgCl2 (001) surface
Authors: Costuas, K.; Parrinello, M.
Date of Publication (YYYY-MM-DD): 2002
Title of Journal: The Journal of Physical Chemistry B
Volume: 106
Issue / Number: 17
Start Page: 4477
End Page: 4481
Document Type: Article
ID: 7315.0
A field-theoretical approach to simulation in the classical canonical and grand canonical ensemble
Authors: Baeurle, S. A.; Martoňák, R.; Parrinello, M.
Date of Publication (YYYY-MM-DD): 2002
Title of Journal: The Journal of Chemical Physics
Volume: 117
Issue / Number: 7
Start Page: 3027
End Page: 3039
Document Type: Article
ID: 7210.0
Polarized atomic orbitals for linear scaling methods
Authors: Berghold, G.; Parrinello, M.; Hutter, J.
Date of Publication (YYYY-MM-DD): 2002
Title of Journal: The Journal of Chemical Physics
Volume: 116
Issue / Number: 5
Start Page: 1800
End Page: 1810
Document Type: Article
ID: 7427.0
First-principles study of aqueous hydroxide solutions
Authors: Chen, B.; Park, J. M.; Ivanov, I.; Tabacchi, G.; Klein, M. L.; Parrinello, M.
Date of Publication (YYYY-MM-DD): 2002
Title of Journal: Journal of the American Chemical Society
Volume: 124
Issue / Number: 29
Start Page: 8534
End Page: 8535
Document Type: Article
ID: 7228.0
Cesiumauride ammonia (1/1), CsAu·NH3: A crystalline analogue to alkali metals dissolved in ammonia?
Authors: Mudring, A.-V.; Jansen, M.; Daniels, J.; Krämer, S.; Mehring, M.; Ramalho, J. P. P.; Romero, A. H.; Parrinello, M.
Date of Publication (YYYY-MM-DD): 2002
Title of Journal: Angewandte Chemie International Edition
Volume: 41
Issue / Number: 1
Start Page: 120
End Page: 124
Document Type: Article
ID: 7447.0
Entries: 1-10  
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