Application of a BOSS - Gaussian interface for QM/MM simulations of Henry and methyl transfer reactions

Jonah Z. Vilseck, Jakub Kostal, Julian Tirado-Rives, William L. Jorgensen. Application of a BOSS - Gaussian interface for QM/MM simulations of Henry and methyl transfer reactions. Journal of Computational Chemistry, 36(27):2064-2074, 2015. [doi]

Authors

Jonah Z. Vilseck

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Jakub Kostal

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Julian Tirado-Rives

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William L. Jorgensen

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