An introduction to computer methods and tools used in all branches of chemistry. Topics include molecular structure visualization, calculation of molecular structure and properties, analysis of reaction mechanisms using potential energy surfaces, simulation of molecular spectra, numerical methods, data processing, and symbolic computation software.
An introduction to computer methods and tools used in all branches of chemistry. Topics include molecular structure visualization, calculation of molecular structure and properties, analysis of reaction mechanisms using potential energy surfaces, simulation of molecular spectra, numerical methods, data processing, and symbolic computation software.
