The dynamo library for molecular simulations using hybrid quantum mechanical and molecular mechanical potentials

Martin J. Field, Marc Albe, CĂ©line Bret, Flavien Proust-De Martin, Aline Thomas. The dynamo library for molecular simulations using hybrid quantum mechanical and molecular mechanical potentials. Journal of Computational Chemistry, 21(12):1088-1100, 2000. [doi]

Abstract

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