DFT approach on stability and conductance of nine different polyyne and cumulene molecules
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DOI: 10.1080/00268976.2019.1601785
Abstract: Cumulene molecules are one of the main candidates for the use as molecular wires. Low bond length alternation (BLA) values are one of the main attractive property of cumulene molecules as it leads to high… read more here.
Keywords: energy; cumulene molecules; nine different; stability ... See more keywords