Publications: ERA-Chemistry

Years

These papers are ordered by article influence.

The physical and chemical properties of heteronanotubes
P. Ayala, R. Arenal, A. Loiseau, A. Rubio, T. Pichler
Reviews Of Modern Physics 82, 1843 - 1885 (2010)
A modified Ehrenfest formalism for efficient large scale ab-initio molecular dynamics
X. Andrade, A. Castro, D. Zueco, J.L. Alonso, P. Echenique, F. Falceto, A. Rubio
Journal Of Chemical Theory And Computation 5, 728 - 742 (2009)
Potassium intercalated single-wall carbon nanotube bundles: Archetypes for semiconductor/metal hybrid systems
C. Kramberger, H. Rauf, M. Knupfer, H. Shiozawa, D. Batchelor, A. Rubio, H. Kataura, T. Pichler
Physical Review B 75, 195442 - 5 (2009)
Towards a gauge invariant method for molecular chiroptical properties in TDDFT
D. Varsano, L.A. Espinosa Leal, X. Andrade, M.A.L. Marques, R. di Felice, A. Rubio
Physical Chemistry Chemical Physics 11, 4481 - 4489 (2009)
Absorption spectra of p-Nitrophenolate Anions in Vacuo and in Solution
M-B.S. Kirketerp, M.A. Petersen, M. Wanko, L.A. Espinosa Leal, H. Zettergren, F.M. Raymo, A. Rubio, M. Brøndsted Nielsen, S. Brøndsted Nielsen
Chemphyschem 10, 1207 - 1209 (2009)
On the use of Neumann's principle for the calculation of the polarizability tensor of nanostructures
M.J.T. Oliveira, A. Castro, M.A.L. Marques, A. Rubio
Journal Of Nanoscience And Nanotechnology 8, 1 - 7 (2008)
Modeling the Properties of Carbon Nanotubes for Sensor - Based Devices
C. Roman, S. Roche, A. Rubio
Wiley-VCH, Weinheim Vol. 8, p. 181 - 228 (2008)