Modelling the vibrational spectroscopy of carbon nanomaterials

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Modelling the vibrational spectroscopy of carbon nanomaterials

An empirical force-field based on the Murrell-Mottram potential is devel- oped to model the vibrational spectroscopy of carbon nanomaterials. The resultant potential accurately simulates the structure and vibrational fre- quencies of carbon nanomaterials. When combined with the Empirical Bond Polari...

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Bibliographic Details
Main Author:	Tailor, Pritesh M.
Format:	Thesis (University of Nottingham only)
Language:	English
Published:	2019
Subjects:	Empirical force field; Raman spectroscopy; Vibrational; Carbon nanotube; Graphene; N anotechnology; Computational chemistry; Theoretical Chemistry; Graphitic nanofibres
Online Access:	https://eprints.nottingham.ac.uk/55703/

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