Aušra Vektarienė
Professor
Theoretical Physics and Astronomy
Vilnius University
Lithuania
Biography
COST D26 "Integrative Scheduling Chemistry" supported by the European Science Foundation. Execution time: 27/05/2004 - 28/03/2007. Member of the Management Committee. European Science Foundation supported by COST D37 Grid Chemistry: GRIDCHEM. Execution Duration: 31/05/2006 05 05 07 05. Member of the Management Committee.
Research Interest
Modeling of molecular structure, functions and their physical properties by quantum chemistry methods. Theoretical investigation of the dynamics and interactions in new multifunctional heterocycles in molecular systems.
Publications
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Vektariene Ausra, Insights into the mechanism of benzoannelated thieno [3,2-b] furan halogenation. Importance of HOMO-HOMO interaction. Journal of Physical Chemistry A. 117 (35), 8449-8458 (2013)
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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-benzodiazepine-2-ones J. Heterocyclic Chem., 52, 243-250, (2015)
