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Results: 106

Alexander A. Voityuk
Charge-on-site scheme to estimate the electronic coupling in electron transfer systems
Chemical Physics Letters, 2008, 451, 153-157
DOI: 10.1016/j.cplett.2007.11.080

A. Voityuk
Conformations of poly{G}–poly{C} π stacks with high hole mobility
J. Chem. Phys., 2008, 128, 045104
DOI: 10.1063/1.2823015

Alexander A. Voityuk
Electronic couplings and on-site energies for hole transfer in DNA: Systematic quantum mechanical/molecular dynamic study
J. Chem. Phys., 2008, 128, 115101
DOI: 10.1063/1.2841421

Alexander A. Voityuk
Thermochemistry of Hydrocarbons. Back to Extended Hückel Theory
J. Chem. Theory Comput., 2008, 4, 1877-1885
DOI: 10.1021/ct8003222

Martín Félix, Alexander A. Voityuk
Parameters For Excess Electron Transfer in DNA. Estimation Using Unoccupied Kohn−Sham Orbitals and TD DFT
J. Phys. Chem. A, 2008, 112, 9043-9049
DOI: 10.1021/jp803636x

Khatcharin Siriwong, Alexander A. Voityuk
π Stack Structure and Hole Transfer Couplings in DNA Hairpins and DNA. A Combined QM/MD Study
J. Phys. Chem. B, 2008, 112, 8181-8187
DOI: 10.1021/jp802222e

Till von Feilitzsch, Jennifer Tuma, Heike Neubauer, Laurent Verdier, Reinhard Haselsberger, Reiner Feick, Gagik G. Gurzadyan, Alexander A. Voityuk, Christian Griesinger, Maria E. Michel-Beyerle
Chromophore/DNA Interactions:  Femto- to Nanosecond Spectroscopy, NMR Structure, and Electron Transfer Theory
J. Phys. Chem. B, 2008, 112, 973-989
DOI: 10.1021/jp076405o

Alexander A. Voityuk, Miquel Duran
Buckycatcher. A New Opportunity for Charge-Transfer Mediation?
J. Phys. Chem. C, 2008, 112, 1672-1678
DOI: 10.1021/jp075209e

Alexander A. Voityuk
Fluctuation of the electronic coupling in DNA: Multistate versus two-state model
Chemical Physics Letters, 2007, 439, 162-165
DOI: 10.1016/j.cplett.2007.03.066

Lluís Blancafort, Alexander A. Voityuk
MS-CASPT2 Calculation of Excess Electron Transfer in Stacked DNA Nucleobases
J. Phys. Chem. A, 2007, 111, 4714-4719
DOI: 10.1021/jp067886z

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