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- W4386779511 abstract "This introductory chapter provides an overview of computational chemistry, which is one of the fastest growing areas of chemistry. Although there are specialists in the field, increasingly the techniques are applied by experimental chemists using the ever-growing power of ever-cheaper computers. Ultimately, computational chemistry involves taking known theory and developing the computer software to solve chemical problems. The chapter then looks at the computer hardware and software that many computational chemists use. The main classes of problems which can be resolved by computer include single molecule calculations, assemblies of molecules, and reactions of molecules. Every time a significant advance has been made in computing technology or in application, computational chemists have seized the opportunity and incorporated it into their own field. The chapter considers two examples to illustrate this: computer graphics and neural networks." @default.
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- W4386779511 date "1995-03-30" @default.
- W4386779511 modified "2023-09-29" @default.
- W4386779511 title "Introduction" @default.
- W4386779511 doi "https://doi.org/10.1093/hesc/9780198557401.003.0001" @default.
- W4386779511 hasPublicationYear "1995" @default.
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