Publications 2008

Years

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These papers are ordered by article relevance.

Molecular Dynamics and Phase Transition in One-Dimensional Crystal of C60 Encapsulated Inside Single Wall Carbon Nanotubes3
E. Abou-Hamad, Y. Kim, T. Wägberg, D. Boesch, S. Aloni, A. Zettl, A. Rubio, D. E. Luzzi, C. Goze-Bac
ACS Nano 3, 3878 - 3883 (2008)
Anharmonic Noninertial Lattice Dynamics during Ultrafast Nonthermal Melting of InSb
E.S. Zijlstra, J. Walkenhorst, M.E. Garcia
Physical Review Letters 101, 135701 (2008)
Efficient Formalism for Large-Scale Ab Initio Molecular Dynamics based on Time-Dependent Density Functional Theory
J.L. Alonso, X. Andrade, P. Echenique, F. Falceto, D. Prada-Gracia, A. Rubio
Physical Review Letters 101, 96403 - 4 (2008)
Equilibrium spin currents: Non-Abelian gauge invariance and color diamagnetism in condensed matter
I.V. Tokatly
Physical Review Letters 101, 106601 (2008)
Optical saturation driven by exciton confinement in molecular-chains: a TDDFT study
D. Varsano, A. Marini, A. Rubio
Physical Review Letters 101, 13302 - 4 (2008)
Site-selective conductance of sidewall functionalized carbon nanotubes
J.M. García-Lastra, K.S. Thygesen, M. Strange, A. Rubio
Physical Review Letters 101, 236806 - 4 (2008)
Comment on "Huge Excitonic Effects in Layered Hexagonal Boron Nitride"
L. Wirtz, A. Marini, M. Grüning, C. Attaccalite, G. Kresse, A. Rubio
Physical Review Letters 100, 189701 (2008)
Electron-Electron Correlation in Graphite: A Combined Angle-Resolved Photoemission and First-Principles Study
A. Grüneis, C. Attaccalite, T. Pichler, V. Zabolotnyy, H. Shiozawa, S.L. Molodtsov, D. Inosov, A. Koitzsch, M. Knupfer, J. Schiessling, R. Follath, R. Weber, P. Rudolf, L. Wirtz, A. Rubio
Physical Review Letters 100, 37601 - 4 (2008)
Quantum Stress Focusing in Descriptive Chemistry
J. Tao, G. Vignale, I. V. Tokatly
Physical Review Letters 100, 206405 (2008)
Stable Liquid Hydrogen at High Pressure by a Novel Ab Initio Molecular-Dynamics Calculation
C. Attaccalite, S. Sorella
Physical Review Letters 100, 114501 (2008)
Zinc porphyrin - driven assembly of gold nanofingers
V. Arima, R. I. R. Blyth, F. Matino, L. Chiodo, F. Della Sala, J. Thompson, T. Regier, R. Del Sole, G. Mele, G. Vasapollo, R. Cingolani, R. Rinaldi
Small 4, 497 - 506 (2008)
Oxidation of CO and H2 by O2 and N2O on Au/TiO2 catalysts in microreactors
G. Walther, D.J. Mowbray, T. Jiang, G. Jones, S. Jensen, U.J. Quaade, S. Horch
Journal Of Catalysis 260, 86 - 92 (2008)
Effect of Polarization on the Opsin Shift in Rhodopsins. 1. A Combined QM/QM/MM Model for Bacteriorhodopsin and Pharaonis Sensory Rhodopsin II
M. Wanko, M. Hoffmann, Th. Frauenheim, M. Elstner
Journal Of Physical Chemistry B 112, 11462 - 11467 (2008)
Effect of polarization on the opsin shift in rhodopsins. 2. empirical polarization models for proteins
M. Wanko, M. Hoffmann, J. Frähmcke, Th. Frauenheim, M. Elstner
Journal Of Physical Chemistry B 112, 11468 - 11478 (2008)
Ab initio study of the dielectric response of crystalline ropes of metallic single-walled carbon nanotubes: Tube-diameter and helicity effects
A. G. Marinopoulos, Lucia Reining,, Angel Rubio
Physical Review B 78, 235428 - 9 (2008)