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Publications

  • Tarakanov, Pavel A.; Simakov, Anton; Dzuban, Alexander V.; Shestov, Vladimir I.; Tarakanova, Ekaterina N.; Pushkarev, Victor E. & Tomilova, Larisa G. (2016). 5,7-Bis(2′-arylethenyl)-6H-1,4-diazepine-2,3-dicarbonitriles: Synthesis, and experimental and theoretical evaluation of the effects of substituents at 5,6,7-positions on the molecular configuration and spectral properties. Organic and biomolecular chemistry.  ISSN 1477-0520.  14(3), s 1138- 1146 . doi: 10.1039/c5ob02098k
  • Tarakanova, Ekaterina N.; Trashin, Stanislav A.; Simakov, Anton; Furuyama, Taniyuki; Dzuban, Alexander V.; Inasaridze, Liana N.; Tarakanov, Pavel A.; Troshin, Pavel A.; Pushkarev, Victor E.; Kobayashi, Nagao & Tomilova, Larisa G. (2016). Double-decker bis(tetradiazepinoporphyrazinato) rare earth complexes: Crucial role of intramolecular hydrogen bonding. Dalton Transactions.  ISSN 1477-9226.  45(30), s 12041- 12052 . doi: 10.1039/c6dt01779g
  • Tarakanov, Pavel A.; Simakov, Anton; Tolbin, Alexandr Yu.; Balashova, Irina O.; Shestov, Vladimir I. & Tomilova, Larisa G. (2015). Novel A3B-type tert-butyl-substituted tribenzodiazepinoporphyrazine: Synthesis, spectral properties and DFT study. Spectrochimica Acta Part A - Molecular and Biomolecular Spectroscopy.  ISSN 1386-1425.  139, s 464- 470 . doi: 10.1016/j.saa.2014.12.054
  • Rybkin, Vladimir; Simakov, Anton; Bakken, Vebjørn; Reine, Simen Sommerfelt; Kjærgaard, Thomas; Helgaker, Trygve & Uggerud, Einar (2013). Insights into the dynamics of evaporation and proton migration in protonated water clusters from large-scale bornoppenheimer direct dynamics. Journal of Computational Chemistry.  ISSN 0192-8651.  34(7), s 533- 544 . doi: 10.1002/jcc.23162
  • Simakov, Anton; Miller, Glenn B.S.; Bunkan, Arne Joakim Coldevin; Hoffmann, Mark & Uggerud, Einar (2013). The dissociation of glycolate-astrochemical and prebiotic relevance. Physical Chemistry, Chemical Physics - PCCP.  ISSN 1463-9076.  15(39), s 16615- 16625 . doi: 10.1039/c3cp51638e
  • Simakov, Anton; Sekiguchi, Osamu; Bunkan, Arne Joakim Coldevin & Uggerud, Einar (2011). Energetics and Mechanisms for the Unimolecular Dissociation of Protonated Trioses and Relationship to Proton-Mediated Formaldehyde Polymerization to Carbohydrates in Interstellar Environments. Journal of the American Chemical Society.  ISSN 0002-7863.  133(51), s 20816- 20822 . doi: 10.1021/ja206600w

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Published Jan. 30, 2017 1:42 PM