Browsing by Author "Voityuk, Alexander A."
orcId Voityuk, Alexander A.​ researcherId Voityuk, Alexander A.​ scopusId Voityuk, Alexander A.​ ​

Charge transfer in DNA: hole charge is confined to a single base pair due to solvation effects

Article open access ​

​

Estimates of electronic coupling for excess electron transfer in DNA

Article open access ​

​

Estimation of electronic coupling in π -stacked donor-bridge-acceptor systems: correction of the two-state model

Article open access ​

​

Conformations of poly{G}-poly{C} π stacks with high hole mobility

Article open access ​

​

Electronic couplings and on-site energies for hole transfer in DNA: systematic quantum mechanical/molecular dynamic study

Article open access ​

​

Buckycatcher. A New Opportunity for Charge-Transfer Mediation?

Triplet-triplet energy transfer in DNA: A process that occurs on the nanosecond timescale

Article embargoed access ​

​

Distance dependence of triplet energy transfer in water and organic solvents: A QM/MD study

Computational modeling of charge transfer in nucleobase-aromatic amino acid complexes

Thesis open access ​

​

Exciton delocalization, charge transfer, and electronic coupling for singlet excitation energy transfer between stacked nucleobases in DNA: An MS-CASPT2 study

INDO/X: A new semiempirical method for excited states of organic and biological molecules

Article embargoed access ​

​

Estimation of electronic coupling for singlet excitation energy transfer

Article embargoed access ​

​

On the performance of the Kohn-Sham orbital approach in the calculation of electron transfer parameters. the three state model

Influence of base stacking geometry on the nature of excited states in G-quadruplexes: A time-dependent DFT study

Extent of charge separation and exciton delocalization for electronically excited states in a triphenylamine-C60 donor–acceptor conjugate: a combined molecular dynamics and TD-DFT study

Interaction of Dark Excited States: Comparison of Computational Approaches

Article embargoed access ​

​

Multiple Decay Mechanisms and 2D-UV Spectroscopic Fingerprints of Singlet Excited Solvated Adenine-Uracil Monophosphate

Theoretical Estimation of the Rate of Photoinduced Charge Transfer Reactions in Triphenylamine C60 Donor-Acceptor Conjugate

Single photon triggered dianion formation in TCNQ and F4TCNQ crystals

Article open access ​

et al. ​

Photoinduced charge separation in the carbon nano-onion C60@C240

Article open access ​

​

The Driving Force of Photoinduced Charge Separation in Metal-Cluster-Encapsulated Triphenylamine-[80]fullerenes

Direct estimation of the transfer integral for photoinduced electron transfer from TD DFT calculations

Thermally induced hopping model for long-range triplet excitation energy transfer in DNA

Reliable charge assessment on encapsulated fragment for endohedral systems