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Caballero, Reyna, Quintanar, Carlos, Köster, Andreas M., Khanna, Shiv N., Reveles, J. Ulises (2008) Structural and Electronic Properties of Au and Au2 on an MgO(100) Surface: A DFT Cluster Embedding Approach. The Journal of Physical Chemistry C, 112 (38). 14919-14928 doi:10.1021/jp804355z

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Reference TypeJournal (article/letter/editorial)
TitleStructural and Electronic Properties of Au and Au2 on an MgO(100) Surface: A DFT Cluster Embedding Approach
JournalThe Journal of Physical Chemistry C
AuthorsCaballero, ReynaAuthor
Quintanar, CarlosAuthor
Köster, Andreas M.Author
Khanna, Shiv N.Author
Reveles, J. UlisesAuthor
Year2008 (September 25)Volume112
Issue38
PublisherAmerican Chemical Society (ACS)
DOIdoi:10.1021/jp804355zSearch in ResearchGate
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Mindat Ref. ID3896502Long-form Identifiermindat:1:5:3896502:3
GUID0
Full ReferenceCaballero, Reyna, Quintanar, Carlos, Köster, Andreas M., Khanna, Shiv N., Reveles, J. Ulises (2008) Structural and Electronic Properties of Au and Au2 on an MgO(100) Surface: A DFT Cluster Embedding Approach. The Journal of Physical Chemistry C, 112 (38). 14919-14928 doi:10.1021/jp804355z
Plain TextCaballero, Reyna, Quintanar, Carlos, Köster, Andreas M., Khanna, Shiv N., Reveles, J. Ulises (2008) Structural and Electronic Properties of Au and Au2 on an MgO(100) Surface: A DFT Cluster Embedding Approach. The Journal of Physical Chemistry C, 112 (38). 14919-14928 doi:10.1021/jp804355z
In(2008, September) The Journal of Physical Chemistry C Vol. 112 (38) American Chemical Society (ACS)

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Reveles, J. Ulises, Köster, Andreas M., Khanna, Shiv N., Quintanar, Carlos (2010) Surface Oxygen Diffusion into Neutral, Cationic, and Dicationic Oxygen Vacancies on MgO(100) Surfaces. The Journal of Physical Chemistry C, 114 (28). 12265-12270 doi:10.1021/jp1040184
Reveles, J. Ulises, Khanna, Shiv N., Köster, Andreas M. (2006) Equivalent delocalized internal coordinates. Journal of Molecular Structure: THEOCHEM, 762. 171-178 doi:10.1016/j.theochem.2005.11.028
Reveles, J. Ulises, Calaminici, Patrizia, Beltrán, Marcela R., Köster, Andres M., Khanna, Shiv N. (2007) H2O Nucleation around Au+. Journal Of The American Chemical Society, 129 (50) 15565-15571 doi:10.1021/ja074336l
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Johnson, Grant E., Reveles, J. Ulises, Reilly, Nelly M., Tyo, Eric C., Khanna, Shiv N., Castleman, A. W. (2008) Influence of Stoichiometry and Charge State on the Structure and Reactivity of Cobalt Oxide Clusters with CO. The Journal of Physical Chemistry A, 112 (45). 11330-11340 doi:10.1021/jp805186r
Gupta, Ujjwal, Reveles, J. Ulises, Melko, Joshua J., Khanna, Shiv N., Castleman, A. W. (2010) Origins of Stability in Mixed Bismuth−Indium Clusters. The Journal of Physical Chemistry C, 114 (38). 15963-15972 doi:10.1021/jp1000754
Jones, Charles E., Clayborne, Peneé A., Reveles, J. Ulises, Melko, Joshua J., Gupta, Ujjwal, Khanna, Shiv N., Castleman, A. W. (2008) AlnBi Clusters: Transitions Between Aromatic and Jellium Stability. The Journal of Physical Chemistry A, 112 (51). 13316-13325 doi:10.1021/jp804667d
Carroll, Kyler J., Reveles, J. Ulises, Shultz, Michael D., Khanna, Shiv N., Carpenter, Everett E. (2011) Preparation of Elemental Cu and Ni Nanoparticles by the Polyol Method: An Experimental and Theoretical Approach. The Journal of Physical Chemistry C, 115 (6). 2656-2664 doi:10.1021/jp1104196
Jardillier, Nicolas, Berthomieu, Dorothée, Goursot, Annick, Reveles, J. Ulises, Köster, Andreas M. (2006) Theoretical Study of CuIY Zeolite:  Structure and Electronic Properties. The Journal of Physical Chemistry B, 110 (37). 18440-18446 doi:10.1021/jp063568o
Reveles, J. Ulises, Sen, Prasenjit, Pradhan, Kalpataru, Roy, Debesh R., Khanna, Shiv N. (2010) Effect of Electronic and Geometric Shell Closures on the Stability of Neutral and Anionic TiNan (n = 1−13) Clusters. The Journal of Physical Chemistry C, 114 (24). 10739-10744 doi:10.1021/jp101757n
Medel, Victor, Reveles, J. Ulises, Khanna, Shiv N. (2012) Magnetism of electrons in atoms and superatoms. Journal of Applied Physics, 112 (6). 64313pp. doi:10.1063/1.4752471
 
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