Quantum mechanical treatment of binding energy between DNA nucleobases and carbon nanotube: A DFT analysis

From National Research Council Canada

DOIResolve DOI: https://doi.org/10.1016/j.physe.2013.05.024
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Affiliation
  1. National Research Council of Canada. Security and Disruptive Technologies
FormatText, Article
SubjectBasis set superposition errors; DFT; Geometry optimization; Initial configuration; Nucleobases; Optimized configuration; Quantum-mechanical treatments; Single-point energy; Binding energy; Density functional theory; DNA; Electronic properties; Optimization; Quantum chemistry; Quantum theory; Carbon nanotubes
Abstract
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LanguageEnglish
Peer reviewedYes
NPARC number21271852
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Record created2014-04-24
Record modified2020-04-22
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