Protonation-induced stereoisomerism in nicotine: Conformational studies using classical (AMBER) and ab initio (Car-Parrinello) molecular dynamics

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@article{Hammond2005ProtonationinducedSI, title={Protonation-induced stereoisomerism in nicotine: Conformational studies using classical (AMBER) and ab initio (Car-Parrinello) molecular dynamics}, author={Philip S. Hammond and Yudong Wu and Rebecca Harris and Todd J. Minehardt and Roberto Car and Jeffrey D. Schmitt}, journal={Journal of computer-aided molecular design}, year={2005}, volume={19 1}, pages={1-15} }