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Computational Organometallic Chemistry
Thomas R. Cundari
出版CRC Press, 2001-03-16
主題Science / Chemistry / GeneralScience / Chemistry / InorganicScience / Chemistry / Physical & TheoreticalScience / Life Sciences / General
ISBN14822900739781482290073
URLhttp://books.google.com.hk/books?id=wWO1DwAAQBAJ&hl=&source=gbs_api
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註釋This work provides a how-to approach to the fundamentals, methodologies and dynamics of computational organometallic chemistry, including classical and molecular mechanics (MM), quantum mechanics (QM), and hybrid MM/QM techniques. It demonstrates applications in actinide chemistry, catalysis, main group chemistry, medicine, and organic synthesis.