Publications: Biophysics


These papers are ordered by article relevance.

Long-Distance Proton Transfer with a Break in the Bacteriorhodopsin Active Site
P. Phatak, J. S. Frähmcke, M. Wanko, M. Hoffmann, P. Strodel, J. Smith, S. Suhai, A.-N. Bondar, M. Elstner
Journal Of The American Chemical Society 131, 7064 - 7078 (2009)
A dynamic landscape from femtoseconds to minutes for electron solvation at ice-metal interfaces
U. Bovensiepen, C. Gahl, J. Stähler, M. Bockstedte, F. Baletto, S. Scandolo, X.-Y. Zhu, A. Rubio, M. Wolf
Journal Of Physical Chemistry C 113, 979 - 988 (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)
The challenge of predicting optical properties of biomolecules: what can we learn from time-dependent density-functional theory
A. Castro, M.A.L. Marques, D. Varsano, F. Sottile, A. Rubio
Comptes Rendus Physique 10, 469 - 490 (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)
Photo-excitation of a light-harvesting supra-molecular triad: a Time-Dependent DFT 
N. Spallanzani, C. A. Rozzi, D. Varsano, T. Baruah, M. R. Pederson, F. Manghi, A. Rubio
Journal Of Physical Chemistry B 113, 5345 - 5349 (2009)
Fingerprints of bonding motifs in DNA duplexes of adenine and thymine revealed from circular dichroism: synchrotron radiation experiments and TDDFT calculations
L. Nielsen, A. Holm, D. Varsano, U. Kadhana, S. Hoffmann, R. Di Felice, A. Rubio, S. Nielsen
Journal Of Physical Chemistry B 113, 9614 - 9619 (2009)
Ab initio electronic and optical spectra of free-base porphyrins: the role of electronic correlation
M. Palummo, C. Hogan, P. Bagalá, F. Sottile, A. Rubio
Journal of Chemical Physics 131, 84101 (2009)
Assessment of semiempirical methods for the photoisomerisation of a protonated Schiff base
T. Keal, M. Wanko, W. Thiel
Theoretical Chemistry Accounts 123, 145 - 156 (2009)