Characterizing the sensitivity of bonds to the curvature of carbon nanotubes.

Deb, Jyotirmoy; Paul, Debolina; Sarkar, Utpal; Ayers, Paul W

Deb, Jyotirmoy; Paul, Debolina; Sarkar, Utpal; Ayers, Paul W.

Affiliation

Deb J; Department of Physics, Assam University, Silchar, 788011, India.
Paul D; Department of Physics, Assam University, Silchar, 788011, India.
Sarkar U; Department of Physics, Assam University, Silchar, 788011, India. utpalchemiitkgp@yahoo.com.
Ayers PW; Department of Chemistry and Chemical Biology, McMaster University, Hamilton, Ontario, L8S 4M1, Canada. ayers@mcmaster.ca.

J Mol Model ; 24(9): 249, 2018 Aug 21.

Article in En | MEDLINE | ID: mdl-30132148

Key words

Bonding analysis; Chemical reactivity; Curved surface; Density functional theory; Electron density analysis; Natural bond orbital analysis

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Full text: 1 Collection: 01-internacional Database: MEDLINE Type of study: Diagnostic_studies Language: En Journal: J Mol Model Journal subject: BIOLOGIA MOLECULAR Year: 2018 Document type: Article Affiliation country: India Country of publication: Alemania

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