Home News About Us Contact Contributors Disclaimer Privacy Policy 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 
Boron Nitride on Cu(111): An Electronically Corrugated Monolayer
Authors: Joshi, S.; Ecija, D.; Koitz, R.; Iannuzzi, M.; Seitsonen, A. P.; Hutter, J.; Sachdev, Hermann; Vijayaraghavan, S.; Bischoff, F.; Seufert, K.; Barth, J. V.; Auwärter, W.
Date of Publication (YYYY-MM-DD): 2012
Title of Journal: Nano Letters
Volume: 12
Issue / Number: 11
Start Page: 5821
End Page: 5828
Document Type: Article
ID: 629046.0
Isobaric-Isothermal Molecular Dynamics Simulations Utilizing Density Functional Theory: An Assessment of the Structure and Density of Water at Near-Ambient Conditions
Authors: Schmidt, J.; VandeVondele, J.; Kuo, I. F. W.; Sebastiani, Daniel; Siepmann, J. I.; Hutter, J.; Mundy, C. J.
Date of Publication (YYYY-MM-DD): 2009
Title of Journal: Journal of Physical Chemistry B
Volume: 113
Issue / Number: 35
Start Page: 11959
End Page: 11964
Document Type: Article
ID: 435872.0
Beyond Isotropic Tumbling Models: Nuclear Spin Relaxation in Liquids from First Principles
Authors: Schmidt, J.; Hutter, J.; Spiess, Hans Wolfgang; Sebastiani, Daniel
Date of Publication (YYYY-MM-DD): 2008
Title of Journal: ChemPhysChem
Volume: 9
Issue / Number: 16
Start Page: 2313
End Page: 2316
Document Type: Article
ID: 395850.0
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
Autoionization in liquid water
Authors: Geissler, P. L.; Dellago, C.; Chandler, D.; Hutter, J.; Parrinello, M.
Date of Publication (YYYY-MM-DD): 2001
Title of Journal: Science
Volume: 291
Start Page: 2121
End Page: 2124
Document Type: Article
ID: 181946.0
Structural and electronic properties of co-corrole, co-corrin, and co-porphyrin
Authors: Rovira, C.; Kunc, K.; Hutter, J.; Parrinello, M.
Date of Publication (YYYY-MM-DD): 2001
Title of Journal: Inorganic Chemistry
Volume: 40
Start Page: 11
End Page: 17
Document Type: Article
ID: 182701.0
Ab initio analysis of proton transfer dynamics in (H2O)3H+
Authors: Geissler, P. L.; Dellago, C.; Chandler, D.; Hutter, J.; Parrinello, M.
Date of Publication (YYYY-MM-DD): 2000
Title of Journal: Chemical Physics Letters
Volume: 321
Start Page: 225
End Page: 230
Document Type: Article
ID: 181468.0
General and efficient algorithms for obtaining maximally localized Wannier functions
Authors: Berghold, G.; Mundy, C. J.; Romero, A. H.; Hutter, J.; Parrinello, M.
Date of Publication (YYYY-MM-DD): 2000
Title of Journal: Physical Review B
Volume: 61
Start Page: 10040
End Page: 10048
Document Type: Article
ID: 181331.0
Microsolvation and chemical reactivity of sodium and water clusters
Authors: Mundy, C. J.; Hutter, J.; Parrinello, M.
Date of Publication (YYYY-MM-DD): 2000
Title of Journal: Journal of the American Chemical Society
Volume: 122
Start Page: 4837
End Page: 4838
Document Type: Article
ID: 181689.0
Soft norm-conserving pseudopotential for carbon
Authors: Simunek, A.; Vackar, J.; Kunc, K.; Hutter, J.
Date of Publication (YYYY-MM-DD): 2000
Title of Journal: The European Physical Journal B
Volume: 14
Start Page: 245
End Page: 249
Document Type: Article
ID: 181964.0
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.