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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.
- Format: Pocket/Paperback
- ISBN: 9780367397494
- Språk: Engelska
- Antal sidor: 442
- Utgivningsdatum: 2019-12-13
- Förlag: CRC Press