2011

Aquino A. J. A., Nachtigallová D., Hobza P., Truhlar D. G., Haettig C., Lischka H.:
The Charge-Transfer States in a Stacked Nucleobase Dimer Complex: A Benchmark Study.
Journal of Computational Chemistry 32 (7): 1217-1227, 2011.

Mládek A., Šponer J., Sumpter B. G., Fuentes-Cabrera M., Šponer J. E.:
On the Geometry and Electronic Structure of the As-DNA Backbone.
Journal of Physical Chemistry Letters 2 (5): 389-392, 2011.

Vazquez-Mayagoitia A., Horton S. R., Sumpter B. G., Šponer J., Šponer J. E., Fuentes-Cabrera M.:
On the Stabilization of Ribose by Silicate Minerals.
Astrobiology 11 (2): 115-121, 2011.

Řezáč J., Hobza P.:
Extrapolation and Scaling of the DFT-SAPT Interaction Energies toward the Basis Set Limit.
Journal of Chemical Theory and Computation 7 (3): 685-689, 2011.

Dobeš P., Fanfrlík J., Řezáč J., Otyepka M., Hobza P.:
Transferable scoring function based on semiempirical quantum mechanical PM6-DH2 method: CDK2 with 15 structurally diverse inhibitors.
Journal of Computer-aided Molecular Design 25 (3): 223-235, 2011.

Barbatti M., Szymczak J. J., Aquino A. J. A., Nachtigallová D., Lischka H.:
The decay mechanism of photoexcited guanine - A nonadiabatic dynamics study.
Journal of Chemical Physics 134 (1): 10.1063/1.3521498, 2011.

Barbatti M., Aquino A. J. A., Szymczak J. J., Nachtigallová D., Lischka H.:
Photodynamical simulations of cytosine: characterization of the ultrafast bi-exponential UV deactivation.
Physical Chemistry Chemical Physics 13 (13): 6145-6155, 2011.

Šponer J. E., Šponer J., Fuentes-Cabrera M.:
Prebiotic Routes to Nucleosides: A Quantum Chemical Insight into the Energetics of the Multistep Reaction Pathways.
Chemistry-a European Journal 17 (3): 847-854, 2011.

Thu Apr 21 13:44:34 +0200 2011