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- W993670194 abstract "Drug research involves complicated biological problems where the relatively pure techniques of quantum chemistry might seem totally out of place. This chapter discusses quantum chemistry in drug research. It is very simple to do a quantum mechanical calculation using a standard program on a large computer: far simpler than, for example, running a spectrum. All molecular behavior is based upon quantum mechanics. In chemistry, quantum mechanical methods, particularly molecular orbital theory has been abundantly fruitful, but it has been necessary to adopt a high standard of criticism and to be aware of the limitations of particular methods. The best quantum mechanical work on drug molecules is both interesting and useful." @default.
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- W993670194 title "2 Quantum Chemistry in Drug Research" @default.
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- W993670194 doi "https://doi.org/10.1016/s0079-6468(08)70208-x" @default.
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