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Naujesni ISI žurnalų straipsniai

Regina Janciene, Gema Mikulskiene, Tomas Javorskis, Ausra Vektariene, Gytis Vektaris, Lidija Kosychova Dihydroquinazolino[3,2-a][1,5]benzodiazepines: Synthesis and Computational Study of Reductive N-Heterocyclization of N-(2-Nitrobenzoyl)-1,5-

benzodiazepin-2-ones J. Heterocyclic Chem., 52, 243-250, (2015)

Vektariene Ausra, Insights into the mechanism of the benzoannelated thieno[3,2-b]furan halogenation. Importance of HOMO-HOMO interaction. Journal of Physical Chemistry A. 117(35), 8449-8458 (2013); http://dx.doi.org/10.1021/jp402257u.

Jančienė Regina, Vektarienė Aušra, Mikulskienė Gema, Javorskis Tomas, Vektaris Gytis, Klimavičius Algirdas, A combined experimental and theoretical study of the synthesis of quinazolino[3,2-a][1,5]benzodiazepin-13-ones, ARKIVOC 4, 57-75 (2013); http://dx.doi.org/10.3998/ark.5550190.p008.073

Janciene, Regina, Vektariene Ausra, Stumbreviciute Zita, Puodziunaite, Benedikta.Experimental and theoretical investigation of substituent effects in a two-pathway reaction of tetrahydro-1,5-benzodiazepine-2-thiones with 4-substituted 2-bromoacetophenones, Monatshefte fur chemie 142(6), 609-618 (2011); http://dx.doi.org/10.1007/s00706-011-0496-4.

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

Ledesma A.E., Contreras C., Svoboda J., Vektariane A., Brandán S.A, Theoretical structures and experimental vibrational spectra of isomeric benzofused thieno [3,2-b] furan compounds Journal of Molecular Structure 967, 159-165 (2010); http://dx.doi.org/10.1016/j.molstruc.2009.12.050.

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

Janciene Regina, Stumbreviciute Zita, Vektariene Ausra, Sirutkaitis, Romas Podeniene Daiva, Palaima Algirdas, Puodziunaite Bernadeta, Interaction of derivatives of 7-amino-1,5-benzo-diazepin-2-ones with α,β-unsaturated ketones, Chemistry heterocyclic compaunds 46(8), 998-1005 (2010); http://dx.doi.org/10.1007/s10593-010-0614-y.

Vektariene Ausra, Vektaris Gytis, Svoboda Jiri, 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); http://dx.doi.org/10.3998/ark.5550190.0010.730.

Janciene Regina, Stumbreviciute Zita, Vektariene Ausra, Kosychova Lidija, Klimavičius A. K., Palaima Algirdas, Puodziunaitė Bernadeta, Synthesis of novel annelated systems based on the interaction and reactivity estimation of amino-1,5-benzodiazepin-2-ones with dimethyl-2-oxoglutaconate, Journal of heterocyclic chemistry 46(6), 1339-1345, (2009); http://dx.doi.org/10.1002/jhet.226.

Janciene Regina, Stumbreviciute Zita, Vektariene Ausra, Kosychova Lidija, Sirutkaitis Romas, Palaima Algirdas, Staniulyte Zita, Puodziunaite Benedikta, Researches on Thiazolobenzodiazepines. Behavior of Tetrahydro-1,5-benzodiazepinethiones with Aromatic a-Halogen Ketones, Heteroatom Chemistry 19(1), 72-81, (2008); http://dx.doi.org/10.1002/hc.20414.

Vektariene Ausra, Vektaris Gytis, Rankin David W. H., DFT Study of the Regioselectivity of Addition of Sulfenylchloride to Ethenes, Heteroatom chemistry 18 (7), 695-703 (2007); http://dx.doi.org/10.1002/hc.20378.

Vektaris Gytis, Vektariene Ausra, Reorganization energies for charge transfer in carbazole compound containing trinitrofluorenone, Lith. J. Phys. 47 (1), 15-20 (2007); http://dx.doi.org/10.3952/lithjphys.47109.

Vektarienė Ausra, Vektaris Gytis, Quantum chemical study of the thiiranium ion intermediates and regioselectivity features of the halogenide addition, ARKIVOC (xvi), 23-34. (2006); http://dx.doi.org/10.3998/ark.5550190.0007.g03

Vektariene Ausra, Vektaris Gytis, 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); http://dx.doi.org/10.1002/hc.20015.

Janciene Regina, Vektariene Ausra, Stumbreviciute Zita, Kosychova Lidija, Klimavicius A., Puodziunaite Bernadeta. A Straightforward Synthesis of Novel 4H-Tiazolo[3,2-d][1,5]benzodiazepine Derivatives, Heteroatom Chemistry, 15(5), 363-368, (2004); http://dx.doi.org/10.1002/hc.20026.

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

Kai kurie referuojamuose, recenzuojamuose leidiniuose ar konferencijų medžiagoje publikuoti darbai

Vektarienė, Aušra Potencinės energijos paviršiaus profilio skaičiavimai tiriant benzo-kondensuoto tieno[3,2-b]furano sąveiką su bromo molekule. 40-oji Lietuvos nacionalinė fizikos konferencija : programa ir pranešimų tezės, Vilnius, 2013 m. birželio 10-12 d. p. 224.

Jančienė, Regina, Javorskis, Tomas, Vektarienė, Aušra, Palaima, Algirdas, 1-(2-nitrobenzoil)-1,5-benzdiazepin-2-ono darinių heterociklizacijos tyrimas. KTU konferencijos "Chemija ir cheminė technologija" pranešimų medžiaga. Kaunas 2012, p. 45-47.

Jančienė, Regina, Vektarienė, Aušra, Palaima, Algirdas, Podėnienė, Daiva, Experimental and computational study of reductive N-heterocyclization of N-(2-nitrobenzoyl)-1,5-benzodiazepin-2-ones. Materials of the 10-th Intern. Konf. Held in Vilnius, VU, 14-15 October, 2011, p 54.

Vektarienė, Aušra, Vektaris, Gytis, Reaction mechanism study of substituted ethene and sulfenyl halide interaction. Materials of the Intern. Conference held in Kaunas, KTU, 2011, p. 45-47 .

Vektarienė Aušra, Vektaris Gytis, A theoretical studies on the methylsulfenylchloride addition to the propene The 13th international electronic conference on synthetic organic chemistry: proceedings of ECSOC-13: [1-30 November 2009, Spain].2009 P. 1-18.

Vektarienė Aušra, Jančienė Regina, The DFT reactivity estimation of amino-1,5-benzodiazepin-2-ones in the cyclization reaction with dimethyl-2-oxoglutaconate The 13th international electronic conference on synthetic organic chemistry: proceedings of ECSOC-13 :[1-30 November 2009, Spain]. 2009 P. 1-13.

Vektarienė Aušra, Vektaris Gytis, Svoboda Jiri, Theoretical study of the mechanism of thieno[3,2-b]benzofuran bromination 12th International electronic conference on synthetic organic chemistry: proceedings of ECSOC-12 1-30 November 2008, Basel, Switzerland. Basel : MDPI, 2008 p. 1-9.

Vektarienė Aušra, Vektaris Gytis, Svoboda Jiri, Theoretical study of benzofused thieno[3,2-b]furans in the reactions with electrophiles The Eleventh international electronic conference on synthetic organic chemistry: proceedings of ECSOC-11 : November 1-30, 2007. Basel : MDPI, 2007 p. 1-15.

Aušra Vektariene, Gytis Vektaris. Quantum Chemical Estimation of Reactivity of 2,3,4,5-Tetrahydro-1,5-benzodiazepin-2(1H)-ones in Electrophilic Aromatic Substitution. ECSOC-7, 2003, A010, p.1-6

Vektarienė A., Juodviršis A., and Vektaris G., Substitution effects on reactivity of N-Acyl-2-amino-2-desoxigliukopyranoses. Quantum chemistry study. ECSOC-4, 2000, A0046, p.1-6.

K. Konstantinavičius, A. Vektarienė, R. Jančienė. D. Puodžiūnaitė Quantum chemical study of bromination reaction for substituted tetrahydro-1,5-benzodiazepinones. ‚Chemija 2001‘ Lietuvos 5-oji chemikų konferencija. Chemijos institutas 2001.

 A. Vektarienė, A. Juodviršis, G. Vektaris Quantum chemical study. N-Acyl Substitution Effects on Reactivity of N-Acyl 2-amido-2-desoxygliukopyranosides. Molecular orbital analysis. Materials of the Intern. Conference held in Kaunas, KTU, 2000, 60-62 p.