Scientific Papers

Discrimination of leucine and isoleucine via fragmentation by electromagnetic field

Tamuliene, J., & Kirova, T. (2024). Discrimination of leucine and isoleucine via fragmentation by electromagnetic field. Journal of Molecular Modeling30(1), 11 (Q3,HPC).


Influence of heteroatoms and substituents on structural and spectroscopic parameters of saturated six-member ring heterocycles: experimental and theoretical study of 1-methyl-1-germacyclohexane

Stocka, J., Platakyte, R., Macyte, J., Sablinskas, V., Rodziewicz, P., & Guirgis, G. A. (2024). Influence of heteroatoms and substituents on structural and spectroscopic parameters of saturated six-member ring heterocycles: experimental and theoretical study of 1-methyl-1-germacyclohexane. Journal of Molecular Structure1296, 136766 (Q2,HPC).


Predicting nonradiative decay barrier of BODIPY dye in polar environment by applying ONIOM multiscale method

Narkevičius, D., & Toliautas, S. (2024). Predicting nonradiative decay barrier of BODIPY dye in polar environment by applying ONIOM multiscale method. Lithuanian Journal of Physics64(1) (Q4,HPC).


Detection of caffeine intake by means of EC-SERS spectroscopy of human saliva

Velička, M., Zacharovas, E., Adomavičiūtė, S., & Šablinskas, V. (2021). Detection of caffeine intake by means of EC-SERS spectroscopy of human saliva. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy246, 118956 (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 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).