Computational Quantum Chemistry : Molecular Structure and Properties In Silico
Book Details
Format
Hardback or Cased Book
Book Series
Theoretical and Computational Chemistry Series
ISBN-10
1849736081
ISBN-13
9781849736084
Publisher
Royal Society of Chemistry
Imprint
Royal Society of Chemistry
Country of Manufacture
GB
Country of Publication
GB
Publication Date
Jun 3rd, 2013
Print length
292 Pages
Weight
586 grams
Dimensions
16.20 x 24.00 x 2.40 cms
Product Classification:
Quantum & theoretical chemistry
Ksh 20,700.00
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Computational Quantum Chemistry presents computational electronic structure theory as practiced in terms of ab initio waveform methods and density functional approaches.
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.
Get Computational Quantum Chemistry by at the best price and quality guaranteed only at Werezi Africa's largest book ecommerce store. The book was published by Royal Society of Chemistry and it has pages.