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Computational Quantum Chemistry : An Interactive Introduction to Basis Set Theory

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Title: Computational Quantum Chemistry : An Interactive Introduction to Basis Set Theory
Description: 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.
Authors: Charles M. Quinn
Resource Type: eBook.
Subjects: Quantum chemistry--Data processing, Gaussian basis sets (Quantum mechanics)
Categories: SCIENCE / Chemistry / Computational & Molecular Modeling
Database: eBook Collection (EBSCOhost)
FullText Links:
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  Availability: 0
Header DbId: nlebk
DbLabel: eBook Collection (EBSCOhost)
An: 196187
RelevancyScore: 979
AccessLevel: 6
PubType: eBook
PubTypeId: ebook
PreciseRelevancyScore: 978.796813964844
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  Data: Computational Quantum Chemistry : An Interactive Introduction to Basis Set Theory
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  Data: 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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      – Code: 541.280285
        Scheme: ddc
        Type: prePub
    Languages:
      – Code: eng
        Text: English
    Subjects:
      – SubjectFull: Quantum chemistry--Data processing
        Type: general
      – SubjectFull: Gaussian basis sets (Quantum mechanics)
        Type: general
    Titles:
      – TitleFull: Computational Quantum Chemistry : An Interactive Introduction to Basis Set Theory
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            NameFull: Charles M. Quinn
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          Dates:
            – D: 01
              M: 01
              Type: published
              Y: 2002
            – D: 04
              M: 02
              Type: profile
              Y: 2014
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              Value: 9780125696821
            – Type: isbn-electronic
              Value: 9780080488530
          Titles:
            – TitleFull: Computational Quantum Chemistry : An Interactive Introduction to Basis Set Theory
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