Students

Dovilė Lengvinaitė

• Quantum mechanics/molecular dynamics modeling of NMR relaxation

• Quantum chemical modeling of NMR spectra of ionic liquids and biomolecular compounds

Kristina Ananičienė

• Quantum chemical modeling of aqueous acidities

Milda Koreivaitė

• Quantum chemical modeling of aqueous acidities

Sonata Kvedaravičiūtė

• Quantum chemical modeling of aqueous acidities

Greta Majauskaitė

• Quantum chemical modeling of aqueous acidities

Daumantas Petkevičius (2014-2015)

Bachelor thesis: “Quantum chemical modelling of acidity constants in organic molecules”

K. Aidas, K. Lanevskij, R. Kubilius, L. Juška, D. Petkevičius, P. Japertas.
Aqueous acidities of primary benzenesulfonamides: quantum chemical predictions based on density functional theory and SMD.
J. Comp. Chem. 36 (2015), 2158.

Valentinas Čirba (2014-2015)

Bachelor thesis: “Acidity constants of amines: a quantum chemical study”