2021

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).


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).


Quantum–Classical Approach for Calculations of Absorption and Fluorescence: Principles and Applications

Braver, Y., Valkunas, L., & Gelzinis, A. (2021). Quantum–Classical Approach for Calculations of Absorption and Fluorescence: Principles and Applications. Journal of Chemical Theory and Computation17(11), 7157-7168 (Q1, HPC).


Ion Motion Determines Multiphase Performance Dynamics of Perovskite LEDs

Chmeliov, J., Elkhouly, K., Gegevičius, R., Jonušis, L., Devižis, A., Gelžinis, A., … & Gulbinas, V. (2021). Ion Motion Determines Multiphase Performance Dynamics of Perovskite LEDs. Advanced Optical Materials, 2101560 (Q1).


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. arXiv preprint arXiv:2104.09144 (Q2,HPC).