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Optimization of a molecular mechanics force field for type-II polyoxometalates focussing on electrostatic interactions: A case study

Blandine Courcot, Adam J. Bridgeman. Optimization of a molecular mechanics force field for type-II polyoxometalates focussing on electrostatic interactions: A case study. Journal of Computational Chemistry, 32(8):1703-1710, 2011. [doi]

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