Publications

Aggregation-related quenching of LHCII fluorescence in liposomes revealed by single-molecule spectroscopy

M. Tutkus, J. Chmeliov, G. Trinkunas, P. Akhtar, P. H. Lambrev, L. Valkunas, J. Photochem. Photobiol. B Biology, 218, 112174, 2021.

Unusual temperature dependence of the fluorescence decay in heterostructured stilbene

Confronting FCP structure with ultrafast spectroscopy data: evidence for structural variations

A. Gelzinis, R. Augulis, C. Buechel, B. Robert, L. Valkunas, Phys. Chem. Chem. Phys., 23, 806-821, 2021.

Characterization of thymine microcrystals by CARS and SHG microscopy

A. Dementjev, D. Rutkauskas, I. Polovy, M. Macernis, D. Abramavicius, L. Valkunas, G. Dovbeshko, Scientific reports, 10 (1), 19097, 2020.

Benchmarking the forward–backward trajectory solution of the quantum-classical Liouville equation

Y. Braver, L. Valkunas, A. Gelzinis, J. Chem. Phys., 152 (21), 214116, 2020.

Modeling Dynamic Conformations of Organic Molecules: Alkyne Carotenoids in Solution

S. Streckaite, M. Macernis, F. Li, E. Kuthanová Trsková, R. Litvin, Ch. Yang, A. A. Pascal, L. Valkunas, B. Robert, M. J. Llansola-Portoles, J. Phys. Chem. A, 124 (14), 2792-2801, 2020.

Light-harvesting complexes access analogue emissive states in different environments

V. Mascoli, A. Gelzinis, J. Chmeliov, L. Valkunas, R. Croce, Chem. Sci., 11, 5697, 2020.

Analytical derivation of equilibrium state for open quantum system

A. Gelzinis, L. Valkunas, J. Chem. Phys., 152 (5), 051103, 2020.

Aggregation-Related Nonphotochemical Quenching in the Photosynthetic Membrane

J. Chmeliov, A. Gelzinis, M. Franckevičius, M. Tutkus, F. Saccon, A. V. Ruban, L. Valkunas, J. Phys. Chem. Lett., 10 (23), 7340-7346, 2019.

Application of decay-and evolution-associated spectra for molecular systems with spectral shifts or inherent inhomogeneities

Y. Braver, A. Gelzinis, J. Chmeliov, L. Valkunas,  Chemical Physics 525, 110403, 2019.

Single-molecule microscopy studies of LHCII enriched in Vio or Zea

M. Tutkus, F. Saccon, J. Chmeliov, O. Venckus, I. Ciplys, A. V. Ruban, L. Valkunas

Biochimica et Biophysica Acta (BBA)-Bioenergetics 1860 (6), 499-507, 2019.

Two-dimensional spectroscopy for non-specialists

A. Gelzinis, R. Augulis, V. Butkus, B. Robert, L. Valkunas,  Biochim. Biophys. Acta – Bioenergetics  1860: 271-285, 2019.

Decay- and evolution-associated spectra of time-resolved fluorescence of LHCII aggregates

A. Gelzinis, Y. Braver, J. Chmeliov, L. Valkunas, Lith. J. Phys. 58: 295-306, 2018.

Simulations of absorption and fluorescence lineshapes using the reaction coordinate method

E. Rybakovas, A. Gelzinis, L. Valkunas, Chem. Phys. 515: 242-251, 2018.

Excited state photodissociation dynamics of 2-, 3-, 4-hydroxyacetophenone: Theoretical study

Y. A. Dyakov, S. Toliautas, L. I. Trakhtenberg, L. Valkunas, Chem. Phys. 515: 672-678, 2018.

Fluorescence microscopy of single liposomes with incorporated pigment-proteins

M. Tutkus, P. Akhtar, J. Chmeliov, F. Gorfol, G. Trinkunas, P. H. Lambrev, L. Valkunas, Langmuir 34: 14410-14418, 2018.

Tracing feedback driven exciton dynamics in molecular aggregates

D. Abramavicius, V. Chorosajev, L.  Valkunas,  Phys. Chem. Chem. Phys. 20: 21225-21240, 2018.

Lycopene crystalloids exhibit singlet fission in tomatoes

Llansola-Portoles, M. J., Redeckas, K., Streckaitė, S.,  Ilioaia, C., Pascal,  A. A., Telfer, A., Vengris, M., Valkunas, L., Robert, B. Phys. Chem. Chem. Phys. 20: 8640-8646, 2018.

Can red-emitting state be responsible for fluorescence quneching in LHCII aggregates?

A. Gelzinis, J. Chmeliov, A.V. Ruban, L. Valkunas, Photosynth. Res. 135: 275-284, 2018.

Discrimination of diverse coherences allows identification of electronic transitions of a molecular nanoring

V. Butkus, J. Alster, E. Basinskaite, R. Augulis, P. Neuhaus, L. Valkunas, H.L. Anderson, D. Abramavicius, D. Zigmantas, J. Phys. Chem. Lett.  8 (10): 2344-2349, 2017.

The carotenoid pathway: what is important for excitation quenching in plant antenna complexes?

K.F. Fox, V. Balevicius, Jr., J. Chmeliov, L. Valkunas, A.V. Ruban, C.D.P. Duffy, Phys. Chem. Chem. Phys. 19: 22957-22968, 2017.

Spectroscopic properties of photosystem II reaction center revisited

A. Gelzinis, D. Abramavicius, J.P. Ogilvie, L. Valkunas, J. Chem. Phys. 147 (11): 115102, 2017.

Applicability of transfer tensor method for open quantum system dynamics

A. Gelzinis, E. Rybakovas, L. Valkunas, J. Chem. Phys. 147 (23): 234108, 2017.

Origin of non-Gaussian site energy disorder in molecular aggregates

O. Rancova, M. Jakučionis, L. Valkunas, D. Abramavicius, Chem. Phys. Lett. 674: 120-124, 2017.

Influence of the carotenoid composition on the conformational dynamics of photosynthetic light-harvesting complexes

M. Tutkus, J. Chmeliov, D. Rutkauskas, A. Ruban, L. Valkūnas, J. Phys. Chem. Lett. 8: 5898-5906, 2017.

Benchmarking the stochastic time-dependent variational approach for excitation dynamics in molecular aggregates

V. Chorosajev, A. Gelzinis, L. Valkunas, D. Abramavicius, Chem. Phys. 481: 108-116, 2016.

Artificial photosynthesis: theoretical background

D. Abramavicius, L. Valkunas, In: Artificial photosynthesis, ed. B. Robert, Advanced botanical research v. 79, Elsevier, Acad. Press, 2016, p. 129-167.

The nature of self-regulation in photosynthetic light-harvesting antenna

J. Chmeliov, A. Gelzinis, E. Songaila, R. Augulis, C. D. P. Duffy, A. V. Ruban, L. Valkunas, Nature Plants 2: 16045, 2016.

Excitation migration in fluctuating light-harvesting antenna systems

J. Chmeliov, G. Trinkunas, H. van Amerongen, L. Valkunas, Photosynth. Res. 127: 49-60, 2016.

Role of coherent vibrations in energy transfer and conversion in photosynthetic pigment-protein complexes

D. Abramavicius, L. Valkunas, Photosynth. Res. 127: 33-47, 2016.

Exciton-exciton annihilation and relaxation pathways in semiconducting carbon nanotubes

J. Chmeliov, J., Narkeliunas, M. W. Graham, G. R. Fleming, L. Valkunas, Nanoscale 8: 1618-1626, 2016.

Disorder-induced quantum beats in two-dimensional spectra of excitonically coupled molecules

V. Butkus, H. Dong, G. R. Fleming, D. Abamavicius, L. Valkunas, J. Phys. Chem. Lett. 7: 277-282, 2016.

Coulomb screening and coherent phonon in methylammonium lead iodide perovskites

H. Wang, L. Valkunas, T. Cao, L. Whittacker-Brooks, G. R. Fleming, J. Phys. Chem. Lett. 7: 3284-3289, 2016.

Is there excitation energy transfer between different layers of stacked photosystem II containing thylacoid membranes?

S. Farooq, J. Chmeliov, G. Trinkunas, L. Valkunas, H. van Amerongen, J. Phys. Chem. Lett. 7: 1406-1410, 2016.

Insigts into the mechanism of enhanced rhodamine 6G dimer fluorescence in mesoscopic pluronic-silica matrixes

A. Kazakevicius, D. Peckus, O. Boiko, L. Valkunas, E. Leonenko, G. Telbiz, V. Gulbinas, J. Phys. Chem. C 119: 19126-19133, 2015.

Theory of triplent excitation transfer in the donor-oxygen-acceptor system: application cytochrome b6f

E. G. Petrov, B. Robert, S. H. Lin, L. Valkunas, Biophys. J. 109: 1735-1745, 2015.

An ‘all pigment’ model of excitation quenching in LHCII

J. Chmeliov, W. P. Bricker, C. Lo, E. Jouin, L. Valkunas, A. V. Ruban, C. D. P. Duffy, Phys. Chem. Chem. Phys. 17: 19857-19867, 2015.

Singlet-triplet annihilation in single LHCII complexes

J. M. Gruber, J. Chmeliov, T. P. J. Krüger, L. Valkunas, R. van Grondelle, Phys. Chem. Chem. Phys. 17: 19844-19853, 2015.

Vibronic energy relaxation approach highlighting deactivation pathways in carotenoids

V. Balevicius, Jr., A. G. Pour, J. Savolainen, C. N. Lincoln, V. Likes, E. Riedle, L. Valkunas, D. Abramavicius, J. Hauer, Phys. Chem. Chem. Phys. 17: 19491-19499, 2015.

Resonance Raman spectral of carotenoid molecules: influence of methyl substitutions

M. Macernis, D. Galzerano, J. Sulskus, E. Kish, Y.-H. Kim, S. Koo, L. Valkunas, B. Robert, J. Phys. Chem. A 119: 56-66, 2015.

Mapping energy transfer channels in fucuxanthin-chlorophyll protein complex

A. Gelzinis, V. Butkus, E. Songaila, R. Augulis, A. Gall, C. Büchel, B. Robert, D. Abramavicius, D. Zigmantas, L. Valkunas, Biochim. Biophys. Acta 1847: 241-247, 2015.

Absorption lineshapes of molecular aggregates revisited

A. Gelzinis, D. Abramavicius, L. Valkunas, J. Chem. Phys. 142: 154107, 2015.

Coherence and population dynamics of chlorophyll excitation in FCP complex: two-dimensional spectroscopy study

V. Butkus, A. Gelzinis, R. Augulis, A. Gall, C. Büchel, B. Robert, D. Zigmantas, L. Valkunas, D. Abramavicius, J. Chem. Phys. 142: 212414, 2015.

Modeling of ultrafast time-resolve fluorescence applied to a weakly coupled chromophore pair

V. Balevicius, Jr., L. Valkunas, D. Abramavicius, J. Chem. Phys. 143: 074101, 2015.

Highly efficient intrinsic phosphorescence from a σ-conjugated poly(silylene) polymer

A. Kadashchuk, Yu. Skryshevski, A. Vakhnin, S. Toliautas, J. Sulskus, R. Augulis, V. Gulbinas, S. Nespurek, J. Genoe, L. Valkunas, J. Phys. Chem. C, 118: 22923-22934, 2014.

Exciton annihilation as a probe of the light-harvesting antenna transition into the photoprotective mode

D Rutkauskas, J Chmeliov, M Johnson, A Ruban, L Valkunas, Exciton annihilation as a probe of the light-harvesting antenna transition into the photoprotective mode, Chemical Physics 2012

Electronic Spectra of Structurally Deformed Lutein

M Macernis, J Sulskus, CDP Duffy, AV Ruban, L Valkunas, The Electronic Spectra of Structurally Deformed Lutein, The Journal of Physical Chemistry A 2012

Correction to ‘Fluorescence Intermittency from the Main Plant Light-Harvesting Complex: Sensitivity to the Local Environment”

TPJ Krüger, C Ilioaia, L Valkunas, R Grondelle, Correction to ‘Fluorescence Intermittency from the Main Plant Light-Harvesting Complex: Sensitivity to the Local Environment”, The Journal of Physical Chemistry B 2012

Molecular vibrations-induced quantum beats in two-dimensional electronic spectroscopy

V Butkus, L Valkunas, D Abramavicius, Molecular vibrations-induced quantum beats in two-dimensional electronic spectroscopy, arXiv preprint arXiv:1205.3383 2012

Electronic processes in organic systems

L Valkunas, Electronic processes in organic systems, Chemical Physics 404, 1-1 2012