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Computational Chemistry
Overview of attention for book
Table of Contents
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Altmetric BadgeBook Overview
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Altmetric BadgeChapter 1 An Outline of What Computational Chemistry Is All About
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Altmetric BadgeChapter 2 The Concept of the Potential Energy Surface
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Altmetric BadgeChapter 3 Molecular Mechanics
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Altmetric BadgeChapter 4 Introduction to Quantum Mechanics in Computational Chemistry
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Altmetric BadgeChapter 5 Ab initio Calculations
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Altmetric BadgeChapter 6 Semiempirical Calculations
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Altmetric BadgeChapter 7 Density Functional Calculations
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Altmetric BadgeChapter 8 Some “Special” Topics: (Section 8.1) Solvation, (Section 8.2) Singlet Diradicals, (Section 8.3) A Note on Heavy Atoms and Transition Metals
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Altmetric BadgeChapter 9 Selected Literature Highlights, Books, Websites, Software and Hardware