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Computational and Theoretical Chemistry

Volumn 964, Issue 1-3, 2011, Pages 257-261

Density functional calculations on adsorption of 2-methylheptylisonicotinate antitubercular drug onto functionalized carbon nanotube

(2) Saikia, Nabanita a Deka, Ramesh C a

a TEZPUR UNIVERSITY (India)

Author keywords

Binding energy; Carbon nanotubes; DFT; Frontier orbital; MHI; Reactivity descriptors

Indexed keywords

EID: 84855315425 PISSN: 2210271X EISSN: None Source Type: Journal
DOI: 10.1016/j.comptc.2011.01.006 Document Type: Article

Times cited : (64)

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