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Effect of conjugation on the vibrational modes of a carbon nanotube dimer

Deepa Sharma1, Swastika Banerjee2, Swapan K Pati3

  • 1Department of Higher Education, Government of Haryana, India; Deenbandhu Choturam University of Science & Technology, Murthal, Haryana, India; Shaheed Udham Singh Government College, Matak-Majri, Haryana, India.

Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
|October 9, 2020
PubMed

Keywords:
Density functional theoryInhomogeneous CNT dimerMolecular modelingRaman spectraSimulationVibrational modes

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