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Browsing by Author Lewars, Errol

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  • Computational chemistry : introduction to the theory and applications of molecular and quantum mechanics. (Third edition.)

    • Authors: Lewars, Errol (2016)

  • 1. An Outline of What Computational Chemistry is All About -- 2. The Concept of the Potential Energy Surface -- 3. Molecular Mechanics -- 4. Introduction to Quantum Mechanics in Computational Chemistry -- 5. Ab Initio Calculations -- 6. Semiempirical Calculations -- 7. Density Functional Calculations -- 8. Some “Special” Topics -- 9. Selected Literature Highlights, Books, Websites, Software and Hardware -- Suggested Answers to Harder Questions -- Index.

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Browsing by Author Lewars, Errol

Jump to: 0-9 A B C D E F G H I J K L M N O P Q R S T U V W X Y Z
or enter first few letters:  
Showing results 1 to 1 of 1
  • Computational_Chemistry_by_Errol_G._Lewars.pdf.jpg
  • Book

  • Computational chemistry : introduction to the theory and applications of molecular and quantum mechanics. (Third edition.)

    • Authors: Lewars, Errol (2016)

  • 1. An Outline of What Computational Chemistry is All About -- 2. The Concept of the Potential Energy Surface -- 3. Molecular Mechanics -- 4. Introduction to Quantum Mechanics in Computational Chemistry -- 5. Ab Initio Calculations -- 6. Semiempirical Calculations -- 7. Density Functional Calculations -- 8. Some “Special” Topics -- 9. Selected Literature Highlights, Books, Websites, Software and Hardware -- Suggested Answers to Harder Questions -- Index.