Computational Quantum Chemistry presents computational electronic structure theory as practised in terms of ab initio waveform methods and density functional approaches. Getting a full grasp of the field can often prove difficult, since essential topics fall outside of the scope of conventional chemistry education. This professional reference book provides a comprehensive introduction to the field. Postgraduate students and experienced researchers alike will appreciate Joseph McDouall's engaging writing style. The book is ...
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Computational Quantum Chemistry presents computational electronic structure theory as practised in terms of ab initio waveform methods and density functional approaches. Getting a full grasp of the field can often prove difficult, since essential topics fall outside of the scope of conventional chemistry education. This professional reference book provides a comprehensive introduction to the field. Postgraduate students and experienced researchers alike will appreciate Joseph McDouall's engaging writing style. The book is divided into five chapters, each providing a major aspect of the field. Electronic structure methods, the computation of molecular properties, methods for analysing the output from computations and the importance of relativistic effects on molecular properties are also discussed. Links to the websites of widely used software packages are provided so that the reader can gain first hand experience of using the techniques described in the book.
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Add this copy of Computational Quantum Chemistry Molecular Structure and to cart. $70.36, Sold by Books International rated 3.0 out of 5 stars, ships from Toronto, ON, CANADA, published 2013 by Royal Society of Chemistry.
Add this copy of Computational Quantum Chemistry: Molecular Structure to cart. $77.58, new condition, Sold by discount_scientific_books rated 5.0 out of 5 stars, ships from Sterling Heights, MI, UNITED STATES, published 2013 by Royal Society of Chemistry.
Add this copy of Computational Quantum Chemistry Molecular Structure and to cart. $80.87, new condition, Sold by discount_scientific_books rated 5.0 out of 5 stars, ships from Sterling Heights, MI, UNITED STATES, published 2013 by Royal Society of Chemistry.
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Add this copy of Computational Quantum Chemistry: Molecular Structure to cart. $97.37, new condition, Sold by discount_scientific_books rated 5.0 out of 5 stars, ships from Sterling Heights, MI, UNITED STATES, published 2013 by Royal Society of Chemistry.
Add this copy of Computational Quantum Chemistry: Molecular Structure to cart. $101.49, new condition, Sold by discount_scientific_books rated 5.0 out of 5 stars, ships from Sterling Heights, MI, UNITED STATES, published 2013 by Royal Society of Chemistry.
Add this copy of Computational Quantum Chemistry Molecular Structure and to cart. $108.47, new condition, Sold by Books International rated 3.0 out of 5 stars, ships from Toronto, ON, CANADA, published 2013 by Royal Society of Chemistry.
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