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What is MO Theory in Chemical Reactivity Analysis about?
This document discusses using molecular orbital (MO) theory as a practical tool for studying chemical reactivity. It outlines criteria for theoretical methods to be considered reliable and useful, including accurately calculating molecular properties (energies, geometries, vibrational frequencies) to within 1 kcal/mol, 0.01 Angstroms, and 1 degree. It also notes that methods must be empirically tested against experimental data and be computationally efficient enough to model systems of chemical interest. Th
- Author
- el ioiosxdxdxdxzd
- Language
- EN