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Results: 1-20 |
Results: 20
Interplay between theory and experiment in solid state inorganic chemistry
Authors: Canadell, E Ordejon, P Artacho, E Sanchez-Portal, D Garcia, A Soler, JM
Citation: E. Canadell et al., Interplay between theory and experiment in solid state inorganic chemistry, J MAT CHEM, 11(1), 2001, pp. 1-10
Hybrid DNA-gold nanostructured materials: an ab initio approach
Authors: Garzon, IL Artacho, E Beltran, MR Garcia, A Junquera, J Michaelian, K Ordejon, P Rovira, C Sanchez-Portal, D Soler, JM
Citation: Il. Garzon et al., Hybrid DNA-gold nanostructured materials: an ab initio approach, NANOTECHNOL, 12(2), 2001, pp. 126-131
Zigzag equilibrium structure in monatomic wires
Authors: Sanchez-Portal, D Artacho, E Junquera, J Garcia, A Soler, JM
Citation: D. Sanchez-portal et al., Zigzag equilibrium structure in monatomic wires, SURF SCI, 482, 2001, pp. 1261-1265
First principles study of the adsorption of C-60 on Si(111)
Authors: Sanchez-Portal, D Artacho, E Pascual, JI Gomez-Herrero, J Martin, RM Soler, JM
Citation: D. Sanchez-portal et al., First principles study of the adsorption of C-60 on Si(111), SURF SCI, 482, 2001, pp. 39-43
Metallic bonding and cluster structure
Authors: Soler, JM Beltran, MR Michaelian, K Garzon, IL Ordejon, P Sanchez-Portal, D Artacho, E
Citation: Jm. Soler et al., Metallic bonding and cluster structure, PHYS REV B, 61(8), 2000, pp. 5771-5780
The structure and dynamics of crystalline durene by neutron scattering andnumerical modelling using density functional methods
Authors: Plazanet, M Johnson, MR Gale, JD Yildirim, T Kearley, GJ Fernandez-Diaz, MT Sanchez-Portal, D Artacho, E Soler, JM Ordejon, P Garcia, A Trommsdorff, HP
Citation: M. Plazanet et al., The structure and dynamics of crystalline durene by neutron scattering andnumerical modelling using density functional methods, CHEM PHYS, 261(1-2), 2000, pp. 189-203
Systematic ab initio study of the electronic and magnetic properties of different pure and mixed iron systems
Authors: Izquierdo, J Vega, A Balbas, LC Sanchez-Portal, D Junquera, J Artacho, E Soler, JM Ordejon, P
Citation: J. Izquierdo et al., Systematic ab initio study of the electronic and magnetic properties of different pure and mixed iron systems, PHYS REV B, 61(20), 2000, pp. 13639-13646
Do thiols merely passivate gold nanoclusters?
Authors: Garzon, IL Rovira, C Michaelian, K Beltran, MR Ordejon, P Junquera, J Sanchez-Portal, D Artacho, E Soler, JM
Citation: Il. Garzon et al., Do thiols merely passivate gold nanoclusters?, PHYS REV L, 85(24), 2000, pp. 5250-5251
Comment on "identifying molecular orientation of individual C-60 on a Si(111)-(7 X 7) surface"
Authors: Pascual, JI Gomez-Herrero, J Baro, AM Sanchez-Portal, D Artacho, E Ordejon, P Soler, JM
Citation: Ji. Pascual et al., Comment on "identifying molecular orientation of individual C-60 on a Si(111)-(7 X 7) surface", PHYS REV L, 85(12), 2000, pp. 2653-2653
Seeing molecular orbitals
Authors: Pascual, JI Gomez-Herrero, J Rogero, C Baro, AM Sanchez-Portal, D Artacho, E Ordejon, P Soler, JM
Citation: Ji. Pascual et al., Seeing molecular orbitals, CHEM P LETT, 321(1-2), 2000, pp. 78-82
Structure and thermal stability of gold nanoclusters: The Au-38 case
Authors: Garzon, IL Michaelian, K Beltran, MR Posada-Amarillas, A Ordejon, P Artacho, E Sanchez-Portal, D Soler, JM
Citation: Il. Garzon et al., Structure and thermal stability of gold nanoclusters: The Au-38 case, EUR PHY J D, 9(1-4), 1999, pp. 211-215
Linear-scaling ab-initio calculations for large and complex systems
Authors: Artacho, E Sanchez-Portal, D Ordejon, P Garcia, A Soler, JM
Citation: E. Artacho et al., Linear-scaling ab-initio calculations for large and complex systems, PHYS ST S-B, 215(1), 1999, pp. 809-817
Bonding and diffusion of Ba on a Si(001) reconstructed surface
Authors: Wang, J Hallmark, JA Marshall, DS Ooms, WJ Ordejon, P Junquera, J Sanchez-Portal, D Artacho, E Soler, JM
Citation: J. Wang et al., Bonding and diffusion of Ba on a Si(001) reconstructed surface, PHYS REV B, 60(7), 1999, pp. 4968-4971
Energetics of the oxidation and opening of a carbon nanotube
Authors: Mazzoni, MSC Chacham, H Ordejon, P Sanchez-Portal, D Soler, JM Artacho, E
Citation: Msc. Mazzoni et al., Energetics of the oxidation and opening of a carbon nanotube, PHYS REV B, 60(4), 1999, pp. R2208-R2211
Self-consistent density-functional calculations of the geometric, electronic structures, and magnetic moments of Ni-Al clusters
Authors: Calleja, M Rey, C Alemany, MMG Gallego, LJ Ordejon, P Sanchez-Portal, D Artacho, E Soler, JM
Citation: M. Calleja et al., Self-consistent density-functional calculations of the geometric, electronic structures, and magnetic moments of Ni-Al clusters, PHYS REV B, 60(3), 1999, pp. 2020-2024
Atomic layering at the liquid silicon surface: A first-principles simulation
Authors: Fabricius, G Artacho, E Sanchez-Portal, D Ordejon, P Drabold, DA Soler, JM
Citation: G. Fabricius et al., Atomic layering at the liquid silicon surface: A first-principles simulation, PHYS REV B, 60(24), 1999, pp. R16283-R16286
Application of local-spin-density approximation to a-Si and tetrahedral a-C
Authors: Fedders, PA Drabold, DA Ordejon, P Fabricius, G Sanchez-Portal, D Artacho, E Soler, JM
Citation: Pa. Fedders et al., Application of local-spin-density approximation to a-Si and tetrahedral a-C, PHYS REV B, 60(15), 1999, pp. 10594-10597
Ab initio structural, elastic, and vibrational properties of carbon nanotubes
Authors: Sanchez-Portal, D Artacho, E Solar, JM Rubio, A Ordejon, P
Citation: D. Sanchez-portal et al., Ab initio structural, elastic, and vibrational properties of carbon nanotubes, PHYS REV B, 59(19), 1999, pp. 12678-12688
Stiff monatomic gold wires with a spinning zigzag geometry
Authors: Sanchez-Portal, D Artacho, E Junquera, J Ordejon, P Garcia, A Soler, JM
Citation: D. Sanchez-portal et al., Stiff monatomic gold wires with a spinning zigzag geometry, PHYS REV L, 83(19), 1999, pp. 3884-3887
Electronic states in a finite carbon nanotube: A one-dimensional quantum box
Authors: Rubio, A Sanchez-Portal, D Artacho, E Ordejon, P Soler, JM
Citation: A. Rubio et al., Electronic states in a finite carbon nanotube: A one-dimensional quantum box, PHYS REV L, 82(17), 1999, pp. 3520-3523
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