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Information × Registration Number 0217U001585, 0116U008613 , R & D reports Title Theoretical search optimized structures nanocarbon systems are characterized high adsorption capacity on hydrogen popup.stage_title Head Kartel Mykola T., Доктор хімічних наук Registration Date 02-03-2017 Organization Institute of Surface Chemistry of the National Academy of Sciences of Ukraine popup.description2 The results obtained due to the implementation of the project will be used to determine the effect of temperature and pressure on the structure and formation energy of adsorption complexes (AC) of molecular and atomic hydrogen with carbon nanostructures of various nature, the estimation of the adsorption capacity of carbon nanostructures based on the data on equilibrium spatial structure of their components and types of supermolecular interactions. To implement theoretical studies, computer modeling is used that, as an alternative method of the researches based on methods and approaches of quantum mechanics and quantum chemistry as well as the mathematical apparatus and methods of numerical calculations to describe the properties of chemical compounds, allows us to realize any atomic experiment at atomic and molecular level. Product Description popup.authors Дем'яненко Е.М. Карпенко О. С. Лобанов В.В. popup.nrat_date 2020-04-02 Close