Article ID Journal Published Year Pages File Type
5394091 Computational and Theoretical Chemistry 2013 7 Pages PDF
Abstract
The evaluated electrostatic potential map for N-doped (6, 0) CNT. Color ranges in kcal/mol: red >18.10, yellow 6.54-18.10, green −5.01 to 18.10, blue <−5.01. Black circles surface maxima, blue surface minima.
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Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
Nitrogen-doped (6, 0) carbon nanotubes: A comparative DFT study based on surface reactivity descriptors
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