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Computer Chemistry illustrates the methods and philosophies of how
a computer can be instructed to "understand" chemical facts,
formulas and rules. It focuses on discussions of all of the major
sections in both theoretical framework and practical application
through examples. It includes the Synthesis Design Systems for the
simulation of chemical reactions, the Structure Elucidation Systems
for the interpretation of spectral data, the Molecular Modelling
Systems for the visualization of chemical structures and the
calculation of physico-chemical parameters.
Computer Chemistry illustrates the methods and philosophies of how
a computer can be instructed to "understand" chemical facts,
formulas and rules. It focuses on discussions of all of the major
sections in both theoretical framework and practical application
through examples. It includes the Synthesis Design Systems for the
simulation of chemical reactions, the Structure Elucidation Systems
for the interpretation of spectral data, the Molecular Modelling
Systems for the visualization of chemical structures and the
calculation of physico-chemical parameters.
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