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Home > Mathematics and Science Textbooks > Chemistry > Physical chemistry > Computational Quantum Chemistry: An Interactive Introduction to Basis Set Theory
Computational Quantum Chemistry: An Interactive Introduction to Basis Set Theory

Computational Quantum Chemistry: An Interactive Introduction to Basis Set Theory


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About the Book

Computational Quantum Chemistry removes much of the mystery of modern computer programs for molecular orbital calculations by showing how to develop Excel spreadsheets to perform model calculations and investigate the properties of basis sets. Using the book together with the CD-ROM provides a unique interactive learning tool. In addition, because of the integration of theory with working examples on the CD-ROM, the reader can apply advanced features available in the spreadsheet to other applications in chemistry, physics, and a variety of disciplines that require the solution of differential equations. This book and CD-ROM makes a valuable companion for instructors, course designers, and students. It is suitable for direct applications in practical courses in theoretical chemistry and atomic physics, as well as for teaching advanced features of Excel in IT courses.


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Product Details
  • ISBN-13: 9780080488530
  • Publisher: Academic Press
  • Publisher Imprint: Academic Press
  • Language: English
  • Sub Title: An Interactive Introduction to Basis Set Theory
  • ISBN-10: 0080488536
  • Publisher Date: 14 May 2014
  • Binding: Digital (delivered electronically)
  • No of Pages: 246


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Computational Quantum Chemistry: An Interactive Introduction to Basis Set Theory
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Computational Quantum Chemistry: An Interactive Introduction to Basis Set Theory
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