Optimal scaling factors for CM1 and CM3 atomic charges in RM1-based aqueous simulations

Jonah Z. Vilseck, Somisetti V. Sambasivarao, Orlando Acevedo. Optimal scaling factors for CM1 and CM3 atomic charges in RM1-based aqueous simulations. Journal of Computational Chemistry, 32(13):2836-2842, 2011. [doi]

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