Book Name: |
[PDF] Computational Chemistry – Introduction to the Theory and Applications of Molecular and Quantum Mechanics by Lewars |

Category: |
Physical Chemistry |

Free Download: |
Available |

**Computational Chemistry – Introduction to the Theory and Applications of Molecular and Quantum Mechanics by Lewars**

**Book Description:**

Title: |
Computational Chemistry – Introduction to the Theory and Applications of Molecular and Quantum Mechanics |

Editor: |
Errol G. Lewars |

Edition: |
3rd |

Publisher: |
Springer Publications |

Length: |
739 pages |

Size: |
13.7 MB |

Language: |
English |

**Computational Chemistry: Introduction to the Theory and Applications of Molecular and Quantum Mechanics**

Author(s): Errol G. Lewars (auth.)

Publisher: Springer International Publishing, Year: 2016

ISBN: 978-3-319-30914-9

**[PDF] Computational Chemistry – Introduction to the Theory and Applications of Molecular and Quantum Mechanics by Lewars Table Of Contents**

Front Matter….Pages i-xvi

An Outline of What Computational Chemistry Is All About….Pages 1-8

The Concept of the Potential Energy Surface….Pages 9-49

Molecular Mechanics….Pages 51-99

Introduction to Quantum Mechanics in Computational Chemistry….Pages 101-191

Ab initio Calculations….Pages 193-419

Semiempirical Calculations….Pages 421-482

Density Functional Calculations….Pages 483-563

Some “Special” Topics: (Section 8.1) Solvation, (Section 8.2) Singlet Diradicals, (Section 8.3) A Note on Heavy Atoms and Transition Metals….Pages 565-612

Selected Literature Highlights, Books, Websites, Software and Hardware….Pages 613-643

Back Matter….Pages 645-728

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