"VU HPC" Saulėtekis lokacija
Venckus, J.; Povilaitis, M., The role of CFD combustion modelling in hydrogen safety management — IX: Validation of ETFC model implementation in flameFoam for large-scale hydrogen-air-steam deflagration. Nuclear Engineering and Design 2025, 432, 113737. (Q1)
Maciaszek, M.; Razinkovas, L., Blue Quantum Emitter in Hexagonal Boron Nitride and a Carbon Chain Tetramer: a First-Principles Study. ACS Applied Nano Materials 2024, 7 (16), 18979-18985. (Q2)
Silkinis, R.; Žalandauskas, V.; Thiering, G.; Gali, A.; Van de Walle, C. G.; Alkauskas, A.; Razinkovas, L., Optical lineshapes for orbital singlet to doublet transitions in a dynamical Jahn-Teller system: The ${\mathrm{NiV}}^{\ensuremath{-}}$ center in diamond. Physical Review B 2024, 110 (7), 075303. (Q2)
Rankelytė, G.; Gelzinis, A.; Robert, B.; Valkunas, L.; Chmeliov, J., Environment-dependent chlorophyll–chlorophyll charge transfer states in Lhca4 pigment–protein complex. Frontiers in Plant Science 2024, 15.(Q1)
1. Barysaitė, S.; Chmeliov, J.; Valkunas, L.; Gelzinis, A., Concentration Quenching of Fluorescence Decay Kinetics of Molecular Systems. The Journal of Physical Chemistry B 2024, 128 (20), 4887-4897. (Q3)
Halimski, I.; Karpicz, R.; Dementjev, A.; Jankunec, M.; Chmeliov, J.; Macernis, M.; Abramavicius, D.; Valkunas, L.,
trans-Stilbene aggregates and crystallites in polystyrene films: microscopy and spectroscopy studies. Physical Chemistry Chemical Physics 2024 (Q2)
G. Usevičius, J. Turčak, Y. Zhang, A. Eggeling, Ž. Einorytė, M.A. Hope, Š. Svirskas,
D. Klose, V. Kalendra, K. Aidas, G. Jeschke, J. Banys, M. Šimėnas.
Probing structural and dynamic properties of MAPbCl3 hybrid perovskite using Mn2+
EPR. Dalton Trans. 53 (2024), 7292. (Q1)
Jegorovė, A., Xia, J., Steponaitis, M., Daskeviciene, M., Jankauskas, V., Gruodis, A., … & Nazeeruddin, M. K. (2023). Branched Fluorenylidene Derivatives with Low Ionization Potentials as Hole-Transporting Materials for Perovskite Solar Cells. Chemistry of materials, 35(15), 5914-5923 (Q1,HPC).
Tamuliene, J., & Kirova, T. (2024). Discrimination of leucine and isoleucine via fragmentation by electromagnetic field. Journal of Molecular Modeling, 30(1), 11 (Q3,HPC).
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 Structure, 1296, 136766 (Q2,HPC).