Q-Chem 5.1 User’s Manual
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12 Molecules in Complex Environments: Solvent Models, QM/MM and QM/EFP Features, Density Embedding
12.1 Introduction
12.2 Chemical Solvent Models
12.3 Stand-Alone QM/MM Calculations
12.4 Q-CHEM/CHARMM Interface
12.5 Effective Fragment Potential Method
12.6 Projector-Based Density Embedding
12.7 Frozen-Density Embedding Theory based methods