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"Protonation-induced stereoisomerism in nicotine: Conformational studies ..."

Philip S. Hammond et al. (2005)

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DOI: 10.1007/S10822-005-0096-7

access: closed

type: Journal Article

metadata version: 2020-04-16

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Philip S. Hammond, Yudong Wu, Rebecca Harris, Todd J. Minehardt, Roberto Car, Jeffrey D. Schmitt:
Protonation-induced stereoisomerism in nicotine: Conformational studies using classical (AMBER) and ab initio (Car-Parrinello) molecular dynamics. J. Comput. Aided Mol. Des. 19(1): 1-15 (2005)

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