An ::::ab initio:::: molecular orbital study of intramolecular hydrogen bonding in ortho-substituted arylamides: Implications for the parameterization of molecular mechanics force fields

Zhiwei Liu, Alexey Teslja, Vojislava Pophristic. An ::::ab initio:::: molecular orbital study of intramolecular hydrogen bonding in ortho-substituted arylamides: Implications for the parameterization of molecular mechanics force fields. Journal of Computational Chemistry, 32(9):1846-1858, 2011. [doi]

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