Moksliniai straipsniai

Inspecting molecular aggregate quadratic vibronic coupling effects using squeezed coherent states

Jakučionis, M., Žukas, A., & Abramavičius, D. (2023). Inspecting molecular aggregate quadratic vibronic coupling effects using squeezed coherent states. Physical Chemistry Chemical Physics25(3), 1705-1716 (Q2,HPC).


Thermalization of open quantum systems using the multiple-Davydov-D 2 variational approach

Jakučionis, M., & Abramavičius, D. (2023). Thermalization of open quantum systems using the multiple-Davydov-D 2 variational approach. Physical Review A107(6), 062205 (Q1,HPC).


Two phases of trans-stilbene in a polystyrene matrix

Karpicz, R., Kareivaite, G., Macernis, M., Abramavicius, D., & Valkunas, L. (2023). Two phases of trans-stilbene in a polystyrene matrix. Physical Chemistry Chemical Physics25(32), 21183-21190 (Q2,HPC).


Comparative quantum chemical and spectral characterization of meso-tetra (4-sulfonatophenyl) porphine forms as seeds for J-and H-aggregates

Baliulyte, L., Abramavicius, D., Bagdonas, S., Kalnaityte, A., Poderys, V., Rotomskis, R., & Barzda, V. (2023). Comparative quantum chemical and spectral characterization of meso-tetra (4-sulfonatophenyl) porphine forms as seeds for J-and H-aggregates. AIP Advances13(10) (Q4,HPC).


The application of the SCAN density functional to color centers in diamond

Maciaszek, M., Žalandauskas, V., Silkinis, R., Alkauskas, A., & Razinkovas, L. (2023). The application of the SCAN density functional to color centers in diamond. The Journal of Chemical Physics159(8) (Q1,HPC).


Concentration quenching of fluorescence in thin films of zinc-phthalocyanine

Tamošiūnaitė, J., Streckaitė, S., Chmeliov, J., Valkunas, L., & Gelzinis, A. (2023). Concentration quenching of fluorescence in thin films of zinc-phthalocyanine. Chemical Physics, 572, 111949 (Q3,HPC).


Application of artificial neural networks for modeling of electronic excitation dynamics in 2D lattice: Direct and inverse problems

Juknevicius, P., Chmeliov, J., Valkunas, L., & Gelzinis, A. (2023). Application of artificial neural networks for modeling of electronic excitation dynamics in 2D lattice: Direct and inverse problems. AIP Advances, 13(3) (Q4,HPC).


TICT compounds by design: comparison of two naphthalimide-π-dimethylaniline conjugates of different lengths and ground state geometries

Jovaišaitė, J., Baronas, P., Jonusauskas, G., Gudeika, D., Gruodis, A., Gražulevičius, J. V., & Juršėnas, S. (2023). TICT compounds by design: comparison of two naphthalimide-π-dimethylaniline conjugates of different lengths and ground state geometries. Physical Chemistry Chemical Physics (Q1,HPC).


Extracting the excitonic Hamiltonian of a chlorophyll dimer from broadband two-dimensional electronic spectroscopy

Zakutauskaitė, K., Mačernis, M., Nguyen, H. H., Ogilvie, J. P., & Abramavičius, D. (2023). Extracting the excitonic Hamiltonian of a chlorophyll dimer from broadband two-dimensional electronic spectroscopy. The Journal of Chemical Physics158(1), 015103 (Q1,HPC).


Inspecting molecular aggregate quadratic vibronic coupling effects using squeezed coherent states

Jakučionis, M., Žukas, A., & Abramavičius, D. (2023). Inspecting molecular aggregate quadratic vibronic coupling effects using squeezed coherent states. Physical Chemistry Chemical Physics (Q1,HPC).