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Papers authored by Alexander Voityuk

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2013 Frank H. Wallrapp, Alexander A. Voityuk

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, Victor Guallar

In-silico Assessment of Protein-Protein Electron Transfer. A Case Study: Cytochrome c Peroxidase – Cytochrome c

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Alexander A. Voityuk

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Estimation of Electronic Coupling for Photoinduced Charge Separation and Charge Recombination Using the Fragment Charge Difference Method

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Alexander A. Voityuk

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Intermediate neglect of differential overlap for spectroscopy

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Alexander A. Voityuk

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Effects of dynamic disorder on exciton delocalization and photoinduced charge separation in DNA

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2012 Carles Curutchet

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, Alexander A. Voityuk

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Distance Dependence of Triplet Energy Transfer in Water and Organic Solvents: A QM/MD Study

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Yuri A. Berlin, Alexander A. Voityuk

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, Mark A. Ratner

DNA Base Pair Stacks with High Electric Conductance: A Systematic Structural Search

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C. Butchosa, S. Simon, L. Blancafort

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, A. Voityuk

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MS-CASPT2 Study of Hole Transfer in Guanine–Indole Complexes Using the Generalized Mulliken–Hush Method: Effective Two-State Treatment

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Khatcharin Siriwong, Alexander A. Voityuk

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Electron transfer in DNA

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Alexander A. Voityuk

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Electronic coupling for charge transfer in donor–bridge–acceptor systems. Performance of the two-state FCD model

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2011 Cristina Butchosa, Sílvia Simon, Alexander A. Voityuk

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Conformational dependence of the electronic coupling for hole transfer between adenine and tryptophan

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Alexander A. Voityuk

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Long-Range Electron Transfer in Biomolecules. Tunneling or Hopping?

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Carles Curutchet

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, Alexander A. Voityuk

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Environment effects on triplet–triplet energy transfer in DNA

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C. Butchosa, S. Simon, A. A. Voityuk

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Conformational dependence of the electronic coupling in guanine-tryptophan complexes: A DFT study

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Carles Curutchet

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, Alexander A. Voityuk

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Triplet-Triplet Energy Transfer in DNA: A Process that Occurs on the Nanosecond Timescale

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Alexander A. Voityuk

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, Khatcharin Siriwong, Yuri A. Berlin

Effects of various halogen anions and cations of alkali metals on energetics of excess charge recombination in stilbene donor-acceptor capped DNA hairpins

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2010 Alexander A. Voityuk

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Triplet Excitation Energy Transfer through Fluorene π Stack

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Martín Félix, Alexander A. Voityuk

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DFT performance for the hole transfer parameters in DNA π stacks

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Frank H. Wallrapp, Alexander A. Voityuk

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, Victor Guallar

Temperature Effects on Donor−Acceptor Couplings in Peptides. A Combined Quantum Mechanics and Molecular Dynamics Study

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Khatcharin Siriwong, Alexander A. Voityuk

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, Yuri A. Berlin

Can Charge Recombination in DNA Hairpins Be Controlled by Counterions?

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Alexander A. Voityuk

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Electron transfer between [4Fe–4S] clusters

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