Published in
Royal Society of Chemistry, RSC Advances, 9(13), p. 5869-5873, 2023
DOI: 10.1039/d3ra00019b
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Impact of the terminal end-group on the electrical conductance in alkane linear chains
Journal article published in 2023 by
Abdullah Alshehab,
Ali K. Ismael 
This paper is made freely available by the publisher.
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Abstract
This research presents comprehensive theoretical investigations of a series of alkane-based chains using four different terminal end groups including amine –NH2, thiomethyl –SMe, thiol –SH and direct carbon contact –C.