Exploring the conformational space within phase transfer catalysts: computational methods benchmarking - Supporting information

Supporting information for Exploring the conformational space within phase transfer catalysts: computational methods benchmarking. In this study, a complete exploration of the conformational space within phase transfer catalysts by means of computational methods benchmarking is presented. For this particular research work, only the most applied conformational analysis approaches have been chosen to characterise different Cinchona alkaloid-based phase transfer catalysts. This particular benchmarking study aims to rigorously compare the performance of different conformational methods, determining the strengths of each method and to provide recommendations regarding suitable choices of methods for an analysis.