Posted on 2013-05-25. By anonymous.
ISBN: 3000058346 | edition 2000 | PDF | 646 pages | 6 mb
Computational quantum chemistry has long promised to become a major tool for the study of molecular properties and reaction mechanisms. The fundamental methods of quantum chemistry date back to the earliest days of quantum mechanics in the first decades of the twentieth century. However, widespread quantitative applications have only become common practice in recent times, primarily because of the explosive developments in computer hardware and the associated achievements in the design of new and improved theoretical methods and computational techniques.
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