Конформационный анализ органических молекул; квантовая химия молекул (ab initio и DFT) и приложения; приложения DFT для моделирования свойств материалов (сопряженные полимеры, молекулярные кристаллы); моделирование вибронных спектров; фотоиндуцированные процессы

2019 г - III место на конференции Volkswagen Stieftung Foundation за доклад «Measuring and modelling the impact of film morphology on charge transport processes in the prototypical polymer P3HT» в рамках проекта "Understanding the dependence of charge transport on morphology in organic semiconductor films"(от коллектива авторов: F. Panzer, A. Köhler, Y. Burdakov, V. Nikitenko, O. Mazaleva, N. Tukachev, A. Zhugayevych, A. Vakhnin, A. Kadashchuk).

1. Tukachev N.V., Bataev V.A., Abramenkov A.V., Godunov I.A. Structure and conformational dynamics of a formamide molecule in the ground and lowest excited electronic states. Comp Theor Chem, 2016, 1080, 23-32
2. Tukachev N.V., Bataev V.A., Godunov I.A. Conformational analysis of N-methylformamide in ground S₀ and excited S₁ and T₁ electronic states. J Quant Spectrosc Ra, 2016, 177, 291-300
3. Tukachev N.V., Bataev V.A., Godunov I.A. Conformational analysis of acetamide in the ground and lowest excited electronic states. J Quant Spectrosc Ra, 2017, 192, 30–41
4. Tukachev N.V., Bataev V.A., Godunov I.A. On large amplitude motions of simplest amides in the ground and excited electronic states. Eur Phys J WOC, 2017, 132, 3048
5. Tukachev N.V., Bataev V.A., Godunov I.A. Conformational analysis of N-methylacetamide molecule in the ground and excited electronic states. Comp Theor Chem, 2017, 1113, 82-93
6. Tukachev N.V., Zhugayevych A., Maslennikov D.R., Sosorev A.Yu., Tretiak S. Ground state geometry of PPV oligomers. J Phys Chem Lett, 2019, 10, 12, 3232-3239