| 1 |
Computational NMR Study of Ion Pairing of 1-Decyl-3-methyl-imidazolium Chloride in Molecular Solvents
Lengvinaite D, Klimavicius V, Balevicius V, Aidas K
Journal of Physical Chemistry B, 124(47), 10776, 2020 |
| 2 |
NMR, Raman, and DFT Study of Lyotropic Chromonic Liquid Crystals of Biomedical Interest: Tautomeric Equilibrium and Slow Self-Assembling in Sunset Yellow Aqueous Solutions
Kristinaityte K, Marsalka A, Dagys L, Aidas K, Doroshenko I, Vaskivskyi Y, Chernolevska Y, Pogorelov V, Valeviciene NR, Balevicius V
Journal of Physical Chemistry B, 122(12), 3047, 2018 |
| 3 |
Photoabsorption of Acridine Yellow and Proflavin Bound to Human Serum Albumin Studied by Means of Quantum Mechanics/Molecular Dynamics
Aidas K, Olsen JMH, Kongsted J, Agren H
Journal of Physical Chemistry B, 117(7), 2069, 2013 |
| 4 |
NMR and Raman Spectroscopy Monitoring of Proton/Deuteron Exchange in Aqueous Solutions of Ionic Liquids Forming Hydrogen Bond: A Role of Anions, Self-Aggregation, and Mesophase Formation
Klimavicius V, Gdaniec Z, Kausteklis J, Aleksa V, Aidas K, Balevicius V
Journal of Physical Chemistry B, 117(35), 10211, 2013 |
| 5 |
Hydrogen Bonding in Pyridine N-Oxide/Acid Systems: Proton Transfer and Fine Details Revealed by FTIR, NMR, and X-ray Diffraction
Balevicius V, Aidas K, Svoboda I, Fuess H
Journal of Physical Chemistry A, 116(34), 8753, 2012 |
| 6 |
Excitation Energies in Solution: The Fully Polarizable QM/MM/PCM Method
Steindal AH, Ruud K, Frediani L, Aidas K, Kongsted J
Journal of Physical Chemistry B, 115(12), 3027, 2011 |
| 7 |
Density Functional Theory/Molecular Mechanics Approach for Electronic g-Tensors of Solvated Molecules
Rinkevicius Z, Murugan NA, Kongsted J, Aidas K, Steindal AH, Agren H
Journal of Physical Chemistry B, 115(15), 4350, 2011 |
| 8 |
NMR and Quantum Chemistry Study of Mesoscopic Effects in Ionic Liquids
Balevicius V, Gdaniec Z, Aidas K, Tamuliene J
Journal of Physical Chemistry A, 114(16), 5365, 2010 |
| 9 |
Modeling the Structure and Absorption Spectra of Stilbazolium Merocyanine in Polar and Nonpolar Solvents Using Hybrid QM/MM Techniques
Murugan NA, Kongsted J, Rinkevicius Z, Aidas K, Agren H
Journal of Physical Chemistry B, 114(42), 13349, 2010 |
| 10 |
Solvent effects on the nitrogen NMR shielding and nuclear quadrupole coupling constants in 1-methyltriazoles
Mogelhoj A, Aidas K, Mikkelsen KV, Kongsted J
Chemical Physics Letters, 460(1-3), 129, 2008 |
