Revista - COMPUTATIONAL AND THEORETICAL CHEMISTRY

1. I. Lebedeva, S. Vyrko, A. Sinitsa, S. Ratkevich, A. Popov, A. Knizhnik, N. Poklonski and Y. Lozovik
COMPUTATIONAL AND THEORETICAL CHEMISTRY 1241, 114913 (2024)
Magnetic and electronic properties of 1D hybrid nanoobjects composed of alternating polycyclic hydrocarbon regions and double carbon chains

2. Y. Polynskaya, I. Lebedeva, A. Knizhnik and A. Popov
COMPUTATIONAL AND THEORETICAL CHEMISTRY 1214, (2022)
Optimal model of semi-infinite graphene for ab initio calculations of reactions at graphene edges by the example of zigzag edge reconstruction

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