Atomistic simulations of Cu deposition on the a-Al2O3 (0001) surface (English)
- New search for: Hernandez, N. C.
- New search for: Sanz, J. F.
- New search for: Hernandez, N. C.
- New search for: Sanz, J. F.
In:
JOURNAL OF MOLECULAR STRUCTURE
;
709
, 1-3
;
79-85
;
2004
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ISSN:
- Article (Journal) / Print
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Title:Atomistic simulations of Cu deposition on the a-Al2O3 (0001) surface
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Contributors:Hernandez, N. C. ( author ) / Sanz, J. F. ( author )
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Published in:JOURNAL OF MOLECULAR STRUCTURE ; 709, 1-3 ; 79-85
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Publisher:
- New search for: Elsevier Science B.V., Amsterdam.
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Publication date:2004-01-01
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Size:7 pages
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ISSN:
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Type of media:Article (Journal)
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Type of material:Print
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Language:English
- New search for: 541.22
- Further information on Dewey Decimal Classification
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Classification:
DDC: 541.22 -
Source:
© Metadata Copyright the British Library Board and other contributors. All rights reserved.
Table of contents – Volume 709, Issue 1-3
The tables of contents are generated automatically and are based on the data records of the individual contributions available in the index of the TIB portal. The display of the Tables of Contents may therefore be incomplete.
- 1
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Local orbitals for quasi-degenerate systemsEvangelisti, S. / Guihery, N. / Leininger, T. / Malrieu, J. P. / Maynau, D. / Pitarch Ruiz, J. V. / Suaud, N. / Angeli, C. / Cimiraglia, R. / Calzado, C. J. et al. | 2004
- 11
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Evidences of molecular structure beyond the Born-Oppenheimer approximation: the model hamiltonianMohallem, J. R. et al. | 2004
- 15
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Sturmian orbitals and molecular structureAquilanti, V. / Caligiana, A. et al. | 2004
- 25
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Is the Hohenberg-Kohn-Sham version of DFT a semi-empirical theory?Ludena, E. V. et al. | 2004
- 31
-
Elucidation of the regioselectivity in Diels-Alder reactions by means of theoretical approachesMekelleche, S. M. / Benhabib, R. et al. | 2004
- 35
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Rate constants of gas-phase hydrogen abstraction reactions: a balance between the association and the abstraction dynamical bottlenecksGonzalez-Lafont, A. / Lluch, J. M. et al. | 2004
- 45
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The domino reaction between 4,6-dinitrobenzofuroxan and cyclopentadiene. Insights on the nature of the molecular mechanismArroyo, P. / Teresa Picher, M. / Domingo, L. R. et al. | 2004
- 53
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New insights into a critical biological control step of the mechanism of Ribonucleotide reductaseCerqueira, N. M. / Fernandes, P. A. / Eriksson, L. A. / Ramos, M. J. et al. | 2004
- 67
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A comparative theoretical study of the C2v and C3v reaction of H2 with a Pt4 clusterPoulain, E. / Benitez, J. I. / Castillo, S. / Bertin, V. / Cruz, A. et al. | 2004
- 73
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CO oxidation over anatase TiO2-(001)Mguig, B. / Calatayud, M. / Minot, C. et al. | 2004
- 79
-
Atomistic simulations of Cu deposition on the a-Al2O3 (0001) surfaceHernandez, N. C. / Sanz, J. F. et al. | 2004
- 87
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Restoring the band gap of metal oxide surfaces by redox adsorptionCalatayud, M. / Markovits, A. / Minot, C. et al. | 2004
- 97
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A theoretical study of neutral and reduced tetracyano-p-quinodimethane (TCNQ)Milian, B. / Pou-Amerigo, R. / Viruela, R. / Orti, E. et al. | 2004
- 103
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Ab initio molecular orbital study of the substituent effect on ammonia and phosphine-borane complexesAnane, H. / El Houssame, S. / El Guerraze, A. / Jarid, A. / Boutalib, A. / Nebot-Gil, I. / Tomas, F. et al. | 2004
- 109
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Theoretical study of the bonding in [(C5Me5)2Sm]2[m-2:2X2] (X=Bi, N and NH)Ouddai, N. / Bencharif, M. et al. | 2004
- 117
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Is the Lewis-acid behavior of GaH3 comparable to that of BH3 and AlH3? A DFT comparison study of H3AXH3 (A=B, Al, Ga and X=N, P, As) donor-acceptor complexesEl Guerraze, A. / Anane, H. / Serrar, C. / Es-sofi, A. / Lamsabhi, A. M. / Jarid, A. et al. | 2004
- 123
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The study of three-dimensional structure of caffeine associates using computational and experimental methodsPoltev, V. I. / Grokhlina, T. I. / Gonzalez, E. / Deriabina, A. / Cruz, A. / Gorb, L. / Leszczynski, J. / Djimant, L. N. / Veselkov, A. N. et al. | 2004
- 129
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A DFT study of the tautomeric equilibria of substituted pyridone-like derivatives: sulphur versus oxygen and imino effectLadjarafi, A. / Meghezzi, H. / Boucekkine, A. et al. | 2004
- 135
-
Table of periodic properties of fullerenes based on structural parametersTorrens, F. et al. | 2004
- 143
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Structures and stabilities of CaC3+ and CaC3H+ isomersRedondo, P. / Barrientos, C. / Largo, A. et al. | 2004
- 157
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An ab initio and DFT study of the conformational stability in branched alkanes: illustration for 3,3-dimethylhexaneMouatarif, S. / Aboulmouhajir, A. et al. | 2004
- 163
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Confined ions and water in nanotubeDi Leo, J. M. / Maranon, J. et al. | 2004
- 167
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Structures, harmonic vibrational frequencies and interconversion potential energy profile of Ni+(C2H2)2 complexesSicilia, E. / Russo, N. et al. | 2004
- 171
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Theoretical solvent effects on 13C NMR shielding of some aromatic hydrocarbons. Linear regression analysisFaska, N. / Auhmani, A. / Esseffar, M. et al. | 2004
- 183
-
Structural and spectroscopic characterisation of 2-(2prime-hydroxybenzoyl) pyrrole and its O-methyl derivativeCiofalo, M. / La Manna, G. et al. | 2004
- 187
-
Quantum chemical DFT and spectroscopic study of a push-pull chromophore for second-order nonlinear optics containing bithiophene as the electron relayDelgado, M. C. / Hernandez, V. / Casado, J. / Navarrete, J. T. / Raimundo, J. M. / Blanchard, P. / Roncali, J. et al. | 2004
- 195
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The effects of sulfon on the structural and optical properties in the low-bandgap conjugated polymer poly (3,4-ethylenedioxythiophene)Dkhissi, A. / Beljonne, D. / Lazzaroni, R. / Bredas, J. L. et al. | 2004
- 201
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Macroscopic polarization in crystalline dielectricsResta, R. et al. | 2004
- 207
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Quantum control of reactions with few-cycle infrared and ultraviolet laser pulsesGonzalez, L. et al. | 2004
- 215
-
Molecular wires in future nanoelectronics systemsZehe, A. / Martinez, J. G. et al. | 2004
- 223
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A theoretical study on the analgesic activity of cannabinoid compoundsArroio, A. / Honorio, K. M. / da Silva, A. B. et al. | 2004
- 231
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Mentioning fuzzy logic in theoretical chemistry courses: motivations and extentMammino, L. et al. | 2004
- 239
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author index| 2004
- 241
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subject index| 2004
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ifc (ed board)| 2004
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filler: CORPORATEENDUSER| 2004
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title page/ed board| 2004
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PrefaceEssefar, M. et al. | 2004