Chemistry Enhanced Podcasts, Imperial College London.
Molecular Modelling 3.
- Author: Vários
- Narrator: Vários
- Publisher: Podcast
- Duration: 0:45:23
- More information
Informações:
Synopsis
Completion of the basics of molecular mechanics by introducing the electrostatic term, and the various difficulties associated with it. Introducing the technique of geometry optimisation by expanding the energy function as a Taylor series, and derivation of the Newtoh-Raphson formula, and approximations such as the steepest descent and variable metric methods.