Chapter 3 Hybrid Methods: ONIOM(QM:MM) and QM/MM
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Elsevier
Reference50 articles.
1. Theoretical Studies of Enzymatic Reactions: Dielectric, Electrostatic and Steric Stabilization of the Carbonium Ion in the Reaction of Lysozyme;Warshel;J. Mol. Biol.,1976
2. A Combined Abinitio Quantum-Mechanical and Molecular Mechanical Method for Carrying out Simulations on Complex Molecular-Systems - Applications to the Ch3Cl+Cl- Exchange-Reaction and Gas-Phase Protonation of Polyethers;Singh;J. Comput. Chem.,1986
3. A Combined Quantum-Mechanical and Molecular Mechanical Potential for Molecular-Dynamics Simulations;Field;J. Comput. Chem.,1990
4. Hybrid models for combined quantum mechanical and molecular mechanical approaches;Bakowies;J. Phys. Chem.,1996
5. Evaluation of an ab initio quantum mechanical / molecular mechanical hybrid-potential link-atom method;Amara;Theor. Chem. Acc.,2003
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