Scientific Papers

Bioamperometric Systems with Fructose Dehydrogenase From Gluconobacter japonicus for D‐Tagatose Monitoring

Voitechovič, E., Stankevičiūtė, J., Vektarienė, A., Vektaris, G., Jančienė, R., Kuisienė, N., … & Meškys, R. (2021). Bioamperometric Systems with Fructose Dehydrogenase From Gluconobacter japonicus for D‐Tagatose Monitoring. Electroanalysis33(6), 1393-1397 (Q2,HPC).


Selective enhancement of SERS spectral bands of salicylic acid adsorbate on 2D Ti3C2Tx-based MXene film

Adomavičiūtė-Grabusovė, S., Ramanavičius, S., Popov, A., Šablinskas, V., Gogotsi, O., & Ramanavičius, A. (2021). Selective enhancement of SERS spectral bands of salicylic acid adsorbate on 2D Ti3C2Tx-based MXene film. Chemosensors9(8), 223 (Q2,HPC).


Stark absorption and Stark fluorescence spectroscopies: Theory and simulations

Braver, Y., Valkunas, L., & Gelzinis, A. (2021). Stark absorption and Stark fluorescence spectroscopies: Theory and simulations. The Journal of Chemical Physics155(24), 244101 (Q1,HPC).


Simulation of Ab Initio Optical Absorption Spectrum of β-Carotene with Fully Resolved S 0 and S 2 Vibrational Normal Modes.

Jakučionis, M., Gaižiu̅nas, I., Šulskus, J., & Abramavičius, D. (2022). Simulation of Ab Initio Optical Absorption Spectrum of β-Carotene with Fully Resolved S 0 and S 2 Vibrational Normal Modes. The Journal of Physical Chemistry A (Q2,HPC).


Conformational diversity of 1‑chloro-1-chloromethylsilacyclohexane with experimental (Raman and IR) and computational (DFT, MP2) methods

Stocka, J., Platakyte, R., McFadden, T. M. C., Ceponkus, J., Aleksa, V., Hanna, A. G., … & Guirgis, G. A. (2022). Conformational diversity of 1‑chloro-1-chloromethylsilacyclohexane with experimental (Raman and IR) and computational (DFT, MP2) methods. Journal of Molecular Structure1249, 131644 (Q3,HPC).


Dynamics of Singlet Oxygen Molecule Trapped in Silica Glass Studied by Luminescence Polarization Anisotropy and Density Functional Theory

Skuja, L., Smits, K., Trukhin, A., Gahbauer, F., Ferber, R., Auzinsh, M., … & Alkauskas, A. (2020). Dynamics of Singlet Oxygen Molecule Trapped in Silica Glass Studied by Luminescence Polarization Anisotropy and Density Functional Theory. The Journal of Physical Chemistry C124(13), 7244-7253 (Q2).


Vibrational and vibronic structure of isolatedpoint defects: the nitrogen-vacancy center in diamond

Razinkovas, L., Doherty, M. W., Manson, N. B., Van de Walle, C. G., & Alkauskas, A. (2021). Vibrational and vibronic structure of isolated point defects: The nitrogen-vacancy center in diamond. Physical Review B104(4), 045303 (Q2,HPC).


Photoionization of negatively charged NV centers in diamond: theory and ab initio calculations

Razinkovas, L., Maciaszek, M., Reinhard, F., Doherty, M. W., & Alkauskas, A. (2021). Photoionization of negatively charged NV centers in diamond: theory and ab initio calculations. PHYSICAL REVIEW B (Q2,HPC).


Solid-State NMR and Impedance Spectroscopy Study of Spin Dynamics in Proton-Conducting Polymers: An Application of Anisotropic Relaxing Model

Klimavicius, V., Dagys, L., Klimkevičius, V., Lengvinaitė, D., Aidas, K., Balčiu̅nas, S., … & Balevicius, V. (2021). Solid-State NMR and Impedance Spectroscopy Study of Spin Dynamics in Proton-Conducting Polymers: An Application of Anisotropic Relaxing Model. The Journal of Physical Chemistry B125(45), 12592-12602 (Q3, HPC).


Structural Features of the [C4mim][Cl] Ionic Liquid and Its Mixtures with Water: Insight from a 1H NMR Experimental and QM/MD Study

Lengvinaitė, D., Kvedaraviciute, S., Bielskutė, S., Klimavicius, V., Balevicius, V., Mocci, F., … & Aidas, K. (2021). Structural Features of the [C4mim][Cl] Ionic Liquid and Its Mixtures with Water: Insight from a 1H NMR Experimental and QM/MD Study. The Journal of Physical Chemistry B125(48), 13255-13266 (Q3,HPC).