Aušra Vektarienė, Gytis Vektaris, Ab initio Computational Insight into the Interaction of Alkyl-substituted Ethene and Sulfenyl Halide, Z Naturforsch B 66 (8), 850-856 (2011); doi:10.5560/ZNB.2011.66b0850.

Aušra Vektarienė, Gytis Vektaris. Theoretical Studies on the Methylsulfenyl Chloride Addition to Propene, Heteroatom Chemistry 21 (1), 1-13 (2010); doi:10.1002/hc.20571.

A. Vektarienė, G. Vektaris, J. Svoboda. A theoretical approach to the nucleophilic behavior of benzofused thieno[3,2-b]furans using DFT and HF based reactivity descriptors, ARKIVOC (vii), 311-329 (2009). (Atviros prieigos žurnalas).

A. Vektarienė, G. Vektaris, and D. W. H. Rankin. DFT Study of the Regioselectivity of Addition of Sulfenylchloride to Ethenes, Heteroatom chemistry 18 (7), 695-703 (2007); doi:10.1002/hc.20378.

G. Vektaris and A. Vektarienė, Reorganization energies for charge transfer in carbazole compound containing trinitrofluorenone, Lith. J. Phys. 47 (1), 15 – 20 (2007); doi:10.3952/lithjphys.47109. (Atviros prieigos straisnis).

Aušra Vektarienė and Gytis Vektaris, Quantum chemical study of the thiiranium ion intermediates and regioselectivity features of the halogenide addition, ARKIVOC (xvi), 23-34. (2006). (Atviros prieigos žurnalas).

Aušra Vektarienė and Gytis Vektaris, Quantum chemical estimation of reactivity of 2,3,4,5-tetrahydro-1,5-benzodiazepin-2(1H)-ones in electrophilic aromatic substitution, Heteroatom Chemistry 15 (3), 263-270 (2004); doi:10.1002/hc.20015.

Ausra Vektariene, Arvydas Juodviršis and Gytis Vektaris. Substitution Effects on Reactivity of N-Acyl 2-Amino-2-desoxygliukopyranoses. Quantum Chemical Study, Molecules , 5 (12),  1399-1407 (2000); doi:10.3390/51201399. (Atviros prieigos žurnalas).

B. Kaulakys and G. Vektaris, Transition to nonchaotic behavior in a Brownian-type motion, Phys. Rev. E 52 (2), 2091 - 2094 (1995); doi: 10.1103/PhysRevE.52.2091.

G. Vektaris, A new approach to the molecular biexciton theory, J. Chem. Phys. 101 (4), 3031 - 3040 (1994); doi:10.1063/1.467616.