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Results: 106

Frank H. Wallrapp, Alexander A. Voityuk, Victor Guallar
Temperature Effects on Donor−Acceptor Couplings in Peptides. A Combined Quantum Mechanics and Molecular Dynamics Study
J. Chem. Theory Comput., 2010, 6, 3241-3248
DOI: 10.1021/ct100363e

Alexander A. Voityuk
Triplet Excitation Energy Transfer through Fluorene π Stack
J. Phys. Chem. C, 2010, 114, 20236-20239
DOI: 10.1021/jp108407s

Khatcharin Siriwong, Alexander A. Voityuk, Yuri A. Berlin
Can Charge Recombination in DNA Hairpins Be Controlled by Counterions?
J. Phys. Chem. C, 2010, 114, 20503-20509
DOI: 10.1021/jp104935h

Cristina Butchosa, Sílvia Simon, Alexander A. Voityuk
Electron transfer from aromatic amino acids to guanine and adenine radical cations in π stacked and T-shaped complexes
Org. Biomol. Chem., 2010, 8, 1870-1875
DOI: 10.1039/b927134a

Alexander A. Voityuk
Conformational dependence of the electronic coupling for singlet excitation energy transfer in DNA. An INDO/S study
Phys. Chem. Chem. Phys., 2010, 12, 7403-7408
DOI: 10.1039/c003131c

Frank Wallrapp, Alexander A. Voityuk, Victor Guallar
Solvent Effects on Donor−Acceptor Couplings in Peptides. A Combined QM and MD Study
J. Chem. Theory Comput., 2009, 5, 3312-3320
DOI: 10.1021/ct900377j

Alexander A. Voityuk
Thermochemistry of Pt−Fullerene Complexes: Semiempirical Study
J. Phys. Chem. A, 2009, 113, 11801-11808
DOI: 10.1021/jp902926s

Alexander A. Voityuk
Can Charge Transfer in DNA Significantly Be Modulated by Varying the π Stack Conformation?
J. Phys. Chem. B, 2009, 113, 14365-14368
DOI: 10.1021/jp908603w

Alexander A. Voityuk
Stabilization of radical anion states of nucleobases in DNA
Phys. Chem. Chem. Phys., 2009, 11, 10608-10613
DOI: 10.1039/b910690a

Lluís Blancafort, Miquel Duran, Jordi Poater, Pedro Salvador, Sílvia Simon, Miquel Solà, Alexander A. Voityuk
Excess charge delocalization in organic and biological molecules: some theoretical notions
Theor Chem Acc, 2009, 123, 29-40
DOI: 10.1007/s00214-009-0538-8


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