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pro vyhledávání: '"Pavel Strashnov"'
Autor:
Roman Linko, Michael Ryabov, Pavel Strashnov, Pavel Dorovatovskii, Victor Khrustalev, Victor Davydov
Publikováno v:
Molecules, Vol 26, Iss 21, p 6391 (2021)
Understanding the interactions of organic donor and acceptor molecules in binary associates is crucial for design and control of their functions. Herein, we carried out a theoretical study on the properties of charge transfer complexes of 1,3,6-trini
Externí odkaz:
https://doaj.org/article/ad2b7afe039e479abf51ce3626e05faf
Autor:
Kuzma Khrabrov, Ilya Shenbin, Alexander Ryabov, Artem Tsypin, Alexander Telepov, Anton Alekseev, Alexander Grishin, Pavel Strashnov, Petr Zhilyaev, Sergey Nikolenko, Artur Kadurin
Publikováno v:
Physical chemistry chemical physics : PCCP. 24(42)
Electronic wave function calculation is a fundamental task of computational quantum chemistry. Knowledge of the wave function parameters allows one to compute physical and chemical properties of molecules and materials. Unfortunately, it is infeasibl