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Cover Image, Volume 119, Issue 20
Publication year - 2019
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Reports
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.26049
Subject(s) - cover (algebra) , citation , range (aeronautics) , volume (thermodynamics) , image (mathematics) , computer science , physics , theoretical physics , quantum mechanics , library science , materials science , artificial intelligence , engineering , mechanical engineering , composite material
The interaction of successive CO 2 molecules with C 6 Li 6 has been studied using long‐range dispersion corrected density functional approach. This interaction leads to the formation of C 6 Li 6 ‐ n CO 2 complexes in which the charge transfer to CO 2 is very close to unity, and adsorption energy per CO 2 is sufficiently large. In the article e25904 by Ambrish Kumar Srivastava, the calculations suggest that C 6 Li 6 is capable not only in reducing, i.e. activating CO 2 , but also in capturing up to six CO 2 molecules. DOI: 10.1002/qua.25904
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