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QM/MM: Quantum mechanical and Molecular Mechanics model

Lead

T. K. Woo, L. Cavallo and T. Ziegler, Implementation of the IMOMM methodology for performing combined QM/MM molecular dynamics simulations and frequency calculations. Theoretical Chemistry Accounts 100, 307 (1998)

Suggested

T. K. Woo, S. Patchkovskii, and T. Ziegler, Atomic Scale Modeling of Polymerization Catalysts. Computing in Science & Engineering, 2, 28-37 (2000)

For AddRemove model

M. Swart, AddRemove: A new link model for use in QM/MM studies. International Journal of Quantum Chemistry 91, 177 (2003)

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