Locating the Global Minimum and Conformational Sampling

The systematic, or grid, search is only possible for small molecules. For larger systems tlrere are methods which can be used for perturbing a geometry from a local minimum to another minimum. Some commonly used methods for conformational sampling are  

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Gradient Norm Minimizations 14.5.9 Netvton-Raphson Methods 14.5.10 Gradient Extremal Methods Constrained Optimization Problems Locating the Global Minimum and Conformational Sampling 333 333 338 338 339 Appendix C First and Second Quantization Reference 411 411 412... 

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