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Molecular Modeling of Inorganic Compounds
Peter CombaTrevor W. HambleyBodo Martin
出版John Wiley & Sons, 2009-07-10
主題Science / Chemistry / InorganicScience / Chemistry / General
ISBN35276281349783527628131
URLhttp://books.google.com.hk/books?id=j6-x0d_CVA0C&hl=&source=gbs_api
EBookSAMPLE
註釋After the second edition introduced first density functional theory aspects, this third edition expands on this topic and offers unique practice in molecular mechanics calculations and DFT. In addition, the tutorial with its interactive exercises has been completely revised and uses the very latest software, a full version of which is enclosed on CD, allowing readers to carry out their own initial experiments with forcefield calculations in organometal and complex chemistry.