Scientific Papers

Prediction of the tautomer stability and acidity of phenacylpyridines in aqueous solution

Cedillo, A., Kvedaravičiūtė, S., & Aidas, K. (2020). Prediction of the tautomer stability and acidity of phenacylpyridines in aqueous solution. Theoretical Chemistry Accounts139(3), 1-11.DOI:10.1007/s00214-020-2558-3 (Q4, HPC).

 


CP MAS kinetics in soft matter: Spin diffusion, local disorder and thermal equilibration in poly(2-hydroxyethyl methacrylate)

Dagys, L., Klimkevičius, V., Klimavicius, V., Aidas, K., Makuška, R., & Balevicius, V. (2020). CP MAS kinetics in soft matter: Spin diffusion, local disorder and thermal equilibration in poly (2-hydroxyethyl methacrylate). Solid state nuclear magnetic resonance105, 101641.DOI:10.1016/j.ssnmr.2019.101641 (Q2,HPC).


Carbon dimer defect as a source of the 4.1 eV luminescence in hexagonal boron nitride

Mackoit-Sinkevičienė, M.; Maciaszek, M.; Van de Walle, C. G.; Alkauskas, A., Carbon dimer defect as a source of the 4.1 eV luminescence in hexagonal boron nitride. App. Phys. Lett. 2019, 115 (21), 212101.


The effect of solvent polarity and macromolecular crowding on the viscosity sensitivity of a molecular rotor BODIPY-C10

Polita, A., Toliautas, S., Žvirblis, R., & Vyšniauskas, A. (2020). The effect of solvent polarity and macromolecular crowding on the viscosity sensitivity of a molecular rotor BODIPY-C 10. Physical Chemistry Chemical Physics22(16), 8296-8303. DOI:10.1039/c9cp06865a (Q1,HPC).


Analytical derivation of equilibrium state for open quantum system

Gelzinis, A., & Valkunas, L. (2020). Analytical derivation of equilibrium state for open quantum system. The Journal of chemical physics152(5), 051103.DOI:10.1063/1.5141519 (Q1,HPC)


Electron-impact double and triple ionization of Se3+

J. Koncevičiūtė, S. Kučas, A. Kynienė, Š. Masys, V. Jonauskas, Electron-impact double and triple ionization of Se3+, J. Phys. B: At. Mol. Opt. Phys.52, 025203 (2019). DOI: 10.1088/1361-6455/aacd87


Enhancing the Viscosity-Sensitive Range of a BODIPY Molecular Rotor by Two Orders of Magnitude

Stepas Toliautas, Jelena Dodonova, Audrius Žvirblis, Ignas Čiplys, Artūras Polita, Andrius Devižis, Sigitas Tumkevičius, Juozas Šulskus, and Aurimas Vyšniauskas, Enhancing the Viscosity-Sensitive Range of a BODIPY Molecular Rotor by Two Orders of Magnitude, Chem. Eur. J. 2019, 25, 10342 – 10349, DOI: 10.1002/chem.201901315


Emission wavelength dependence on the rISC ratein TADF compounds with large conformational disorder

Tomas Serevičius, Rokas Skaisgiris, Jelena Dodonova, Laimis Jagintavičius, Jonas Bucevičius, Karolis Kazlauskas, Saulius Juršėnas and Sigitas Tumkevičius, Emission wavelength dependence on the rISC ratein TADF compounds with large conformational disorder, Chem. Commun., 2019,55, 1975-1978 DOI: 10.1039/c8cc08906j


Electron-impact ionization of Fe8+

Aušra Kynienė, Sigitas Kučas, Šarūnas Masys, and Valdas Jonauskas Electron-impact ionization of Fe8+ Astronomy and Astrophysics 624, A14 (2019) https://doi.org/10.1051/0004-6361/201833762


Influence of environment and association with water, to internal structure of trifluoroacetylacetone. Matrix isolation FTIR study

Rasa Platakyte, Alejandro Gutiérrez-Quintanilla, Valdas Sablinskas, and Justinas Ceponkus, Influence of environment and association with water, to internal structure of trifluoroacetylacetone. Matrix isolation FTIR study Low Temperature Physics/Fizika Nizkikh Temperatur, 2019, v. 45, No. 6 , pp. 722–735