Vote for your favorite mineral in #MinCup25! - Kosmochlor vs. Azurite
It's a battle of green vs blue as rare but vibrant chromium-bearing kosmochlor up against the deep blue copper alteration mineral azurite.
Log InRegister
Quick Links : The Mindat ManualThe Rock H. Currier Digital LibraryMindat Newsletter [Free Download]
Home PageAbout MindatThe Mindat ManualHistory of MindatCopyright StatusWho We AreContact UsAdvertise on Mindat
Donate to MindatCorporate SponsorshipSponsor a PageSponsored PagesMindat AdvertisersAdvertise on Mindat
Learning CenterWhat is a mineral?The most common minerals on earthInformation for EducatorsMindat ArticlesThe ElementsThe Rock H. Currier Digital LibraryGeologic Time
Minerals by PropertiesMinerals by ChemistryAdvanced Locality SearchRandom MineralRandom LocalitySearch by minIDLocalities Near MeSearch ArticlesSearch GlossaryMore Search Options
Search For:
Mineral Name:
Locality Name:
Keyword(s):
 
The Mindat ManualAdd a New PhotoRate PhotosLocality Edit ReportCoordinate Completion ReportAdd Glossary Item
Mining CompaniesStatisticsUsersMineral MuseumsClubs & OrganizationsMineral Shows & EventsThe Mindat DirectoryDevice SettingsThe Mineral Quiz
Photo SearchPhoto GalleriesSearch by ColorNew Photos TodayNew Photos YesterdayMembers' Photo GalleriesPast Photo of the Day GalleryPhotography

Piccinin, S., Selloni, A., Scandolo, S., Car, R., Scoles, G. (2003) Electronic properties of metal–molecule–metal systems at zero bias: A periodic density functional study. The Journal of Chemical Physics, 119 (13). 6729-6735 doi:10.1063/1.1602057

Advanced
   -   Only viewable:
Reference TypeJournal (article/letter/editorial)
TitleElectronic properties of metal–molecule–metal systems at zero bias: A periodic density functional study
JournalThe Journal of Chemical Physics
AuthorsPiccinin, S.Author
Selloni, A.Author
Scandolo, S.Author
Car, R.Author
Scoles, G.Author
Year2003 (October)Volume119
Issue13
PublisherAIP Publishing
DOIdoi:10.1063/1.1602057Search in ResearchGate
Generate Citation Formats
Mindat Ref. ID2279238Long-form Identifiermindat:1:5:2279238:3
GUID0
Full ReferencePiccinin, S., Selloni, A., Scandolo, S., Car, R., Scoles, G. (2003) Electronic properties of metal–molecule–metal systems at zero bias: A periodic density functional study. The Journal of Chemical Physics, 119 (13). 6729-6735 doi:10.1063/1.1602057
Plain TextPiccinin, S., Selloni, A., Scandolo, S., Car, R., Scoles, G. (2003) Electronic properties of metal–molecule–metal systems at zero bias: A periodic density functional study. The Journal of Chemical Physics, 119 (13). 6729-6735 doi:10.1063/1.1602057
In(2003, October) The Journal of Chemical Physics Vol. 119 (13) AIP Publishing

See Also

These are possibly similar items as determined by title/reference text matching only.

Sun, Q., Selloni, A., Scoles, G. (2006) Electronic Structure of Metal/Molecule//Metal Junctions:  A Density Functional Theory Study of the Influence of the Molecular Terminal Group†. The Journal of Physical Chemistry B, 110 (8). 3493-3498 doi:10.1021/jp053673i
Tangney, P., Scandolo, S. (2003) A many-body interatomic potential for ionic systems: Application to MgO. The Journal of Chemical Physics, 119 (18). 9673-9685 doi:10.1063/1.1609980
Watanabe, Taku, Sholl, David S. (2010) Molecular chemisorption on open metal sites in Cu3(benzenetricarboxylate)2: A spatially periodic density functional theory study. The Journal of Chemical Physics, 133 (9). 94509pp. doi:10.1063/1.3479041
Musolino, V., Selloni, A., Car, R. (1998) First principles study of adsorbed Cun (n=1–4) microclusters on MgO(100): Structural and electronic properties. The Journal of Chemical Physics, 108 (12). 5044-5054 doi:10.1063/1.475911
Fois, E. S., Selloni, A., Parrinello, M., Car, R. (1988) Bipolarons in metal-metal halide solutions. The Journal of Physical Chemistry, 92 (11). 3268-3273 doi:10.1021/j100322a039
Corni, S., Tomasi, J. (2003) Lifetimes of electronic excited states of a molecule close to a metal surface. The Journal of Chemical Physics, 118 (14). 6481-6494 doi:10.1063/1.1558036
Giannozzi, P., Car, R., Scoles, G. (2003) Oxygen adsorption on graphite and nanotubes. The Journal of Chemical Physics, 118 (3). 1003-1006 doi:10.1063/1.1536636
Massobrio, Carlo, Pouillon, Yann (2003) Structural properties of CuO4 and CuO5 clusters: A density functional study. The Journal of Chemical Physics, 119 (16). 8305-8310 doi:10.1063/1.1610433
Zope, Rajendra R., Blundell, S. A., Baruah, Tunna, Kanhere, D. G. (2001) Density functional study of structural and electronic properties of NanMg (1⩽n⩽12) clusters. The Journal of Chemical Physics, 115 (5). 2109-2116 doi:10.1063/1.1381578
Wu, X., Vargas, M. C., Nayak, S., Lotrich, V., Scoles, G. (2001) Towards extending the applicability of density functional theory to weakly bound systems. The Journal of Chemical Physics, 115 (19). 8748-8757 doi:10.1063/1.1412004
Wang, S. G., Schwarz, W. H. E. (1998) Density functional study of first row transition metal dihalides. The Journal of Chemical Physics, 109 (17). 7252-7262 doi:10.1063/1.477359
 
and/or  
Mindat.org is an outreach project of the Hudson Institute of Mineralogy, a 501(c)(3) not-for-profit organization.
Copyright © mindat.org and the Hudson Institute of Mineralogy 1993-2025, except where stated. Most political location boundaries are © OpenStreetMap contributors. Mindat.org relies on the contributions of thousands of members and supporters. Founded in 2000 by Jolyon Ralph.
To cite: Ralph, J., Von Bargen, D., Martynov, P., Zhang, J., Que, X., Prabhu, A., Morrison, S. M., Li, W., Chen, W., & Ma, X. (2025). Mindat.org: The open access mineralogy database to accelerate data-intensive geoscience research. American Mineralogist, 110(6), 833–844. doi:10.2138/am-2024-9486.
Privacy Policy - Terms & Conditions - Contact Us / DMCA issues - Report a bug/vulnerability Current server date and time: September 9, 2025 00:47:36
Go to top of page