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The Journal of Physical Chemistry. B|April 1, 2009
Solvent reorganization energy of hole transfer in DNATomás Kubar, Marcus Elstner
The Journal of Physical Chemistry. B|June 28, 2008
What governs the charge transfer in DNA? The role of DNA conformation and environmentTomás Kubar, Marcus Elstner
The Journal of Physical Chemistry. B|August 7, 2010
Coarse-grained time-dependent density functional simulation of charge transfer in complex systems: application to hole transfer in DNATomás Kubar, Marcus Elstner
The Journal of Physical Chemistry. B|September 4, 2009
Solvent fluctuations drive the hole transfer in DNA: a mixed quantum-classical studyTomás Kubar, Ulrich Kleinekathöfer, Marcus Elstner
Journal of Computational Chemistry|September 30, 2003
New parameterization of the Cornell et al. empirical force field covering amino group nonplanarity in nucleic acid basesFilip Ryjácek, Tomás Kubar, Pavel Hobza
Chemistry (Weinheim an Der Bergstrasse, Germany)|November 19, 2005
Binding of cationic and neutral phenanthridine intercalators to a DNA oligomer is controlled by dispersion energy: quantum chemical calculations and molecular mechanics simulationsTomás Kubar, Michal Hanus, Filip Ryjácek, et al.
The Journal of Physical Chemistry. B|June 12, 2008
Efficient calculation of charge-transfer matrix elements for hole transfer in DNATomás Kubar, P Benjamin Woiczikowski, Gianaurelio Cuniberti, et al.
The Journal of Chemical Physics|July 24, 2010
Structural stability versus conformational sampling in biomolecular systems: why is the charge transfer efficiency in G4-DNA better than in double-stranded DNA?P Benjamin Woiczikowski, Tomás Kubar, Rafael Gutiérrez, et al.
The Journal of Chemical Physics|June 11, 2009
Combined density functional theory and Landauer approach for hole transfer in DNA along classical molecular dynamics trajectoriesP Benjamin Woiczikowski, Tomás Kubar, Rafael Gutiérrez, et al.
Journal of the American Chemical Society|June 19, 2003
Correlated ab initio study of nucleic acid bases and their tautomers in the gas phase, in a microhydrated environment and in aqueous solution. guanine: surprising stabilization of rare tautomers in aqueous solutionMichal Hanus, Filip Ryjácek, Martin Kabelác, et al.
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