"VU HPC" Saulėtekis lokacija
L. Weston, D. Wickramaratne, M. Mackoit, A. Alkauskas, and C. G. Van de Walle Native point defects and impurities in hexagonal boron nitride Phys. Rev. B 97, 214104 DOI:https://doi.org/ 10.1103/PhysRevB.97.214104
Elisa Londero, Gergő Thiering, Lukas Razinkovas, Adam Gali, and Audrius Alkauskas Vibrational modes of negatively charged silicon-vacancy centers in diamond from ab initio calculations Phys. Rev. B 98, 035306 DOI:https://doi.org/10.1103/PhysRevB.98.035306
Masaomi Tanaka, Daiji Kato, Gediminas Gaigalas, Pavel Rynkun, Laima Radžiūtė, Shinya Wanajo, Yuichiro Sekiguchi, Nobuyuki Nakamura, Hajime Tanuma, Izumi Murakami and Hiroyuki A. SakaueProperties of Kilonovae from Dynamical and Post-merger Ejecta of Neutron Star Mergers The Astrophysical Journal(2018), Volume 852, Number 2 https://doi.org/10.3847/1538-4357/aaa0cb
A. Vektarienė,G. Vektaris. A theoretical study of styrene and sulfenyl chloride reaction mechanism CHEMIJA. 2018. Vol. 29. No. 3. P. 166–174 DOI: https://doi.org/10.6001/chemija.v29i3.3819
A. Vektarienė. Bonding Nature of Cyclometalated Ru Complex: How DFT Study Revealing the Dewar-Chatt-Duncanson Model Relates to the Molecular Properties. ChemistrySelect 2018 vol 3, 38 DOI: https://doi.org/10.1002/slct.201802330
A. Vektarienė. The Transition Metal to Ligand Bonding Nature:a Quantum Chemical Study of p-Allyl-ruthenacycle. Lith. J. Phys. 58, 232–245 (2018) DOI: 10.3952/physics.v58i3.3811
M. Šimėnas, A. Ciupa, G. Usevičius, K. Aidas, D. Klose, G. Jeschke, M. Mączka, G.Völkel, A. Pöppl, J. Banys.Electron paramagnetic resonance of copper doped[(CH3)2NH2][Zn(HCOO)3] hybrid perovskite framework. Phys. Chem. Chem. Phys., 2018,20, 12097-12105 DOI: 10.1039/C8CP01426D
K. Kristinaitytė, A. Maršalka, L. Dagys, K. Aidas, I. Doroshenko, Y. Vaskivskyi, Y.Chernolevska, V. Pogorelov, N.R. Valevičienė, V. Balevicius. NMR, Raman and DFTStudy of Lyotropic Chromonic Liquid Crystals of Biomedical Interest: TautomericEquilibrium and Slow Self-Assembling in Sunset Yellow Aqueous Solutions. J. Phys. Chem. B, 2018, 122 (12), 3047–3055 DOI: 10.1021/acs.jpcb.8b00350
M. Šimėnas, L. Macalik, K. Aidas, V. Kalendra, D. Klose, G. Jeschke, M. Mączka, G.Völkel, J. Banys, A. Pöppl. Pulse EPR and ENDOR Study of Manganese Doped[(CH3)2NH2] [Zn(HCOO)3] Hybrid Perovskite Framework. J. Phys. Chem. C, 2017, 121 (48), 27225– 27232 DOI: 10.1021/acs.jpcc.7b09990