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- W2015897480 abstract "A perturbative method is introduced for the theoretical study of lattice distortions in regular polymers. The method is applied to a chain of hydrogen atoms and an estimate of the error entailed in the first order expansion made from a comparison against direct calculations for special lattice distortions. These calculations suggest that the CNDO/2 molecular orbital method predicts the uniformly spaced chain of hydrogen molecules to be the most stable structure for this system." @default.
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- W2015897480 title "Molecular orbital theory for nonregular polymer chains: Distortions of an infinite chain of hydrogen molecules" @default.
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- W2015897480 doi "https://doi.org/10.1063/1.435195" @default.
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