Finding the lowest energy conformation of a molecule.
Includes numerous high-quality plots and surface visualizations. Finding the lowest energy conformation of a molecule
Begin with the "Quick Start" sections before diving into complex transition state theory. Finding the lowest energy conformation of a molecule
Don't just read. Replicate the input files provided in the book to see if your output matches the text. Finding the lowest energy conformation of a molecule
Predicting IR and Raman spectra and identifying transition states.