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Computational Chemistry Introduction to the Theory and Applications of Molecular and Quantum Mechanics 3rd Edition by Errol Lewars ISBN 3319309145 9783319309149

Name: Computational Chemistry Introduction to the Theory and Applications of Molecular and Quantum Mechanics 3rd Edition by Errol Lewars ISBN 3319309145 9783319309149
SKU: EB-5605426
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Computational Chemistry Introduction to the Theory and Applications of Molecular and Quantum Mechanics 3rd Edition Errol G. Lewars (Auth.) Digital Instant Download

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

ISBN(s): 9783319309149, 9783319309163, 3319309145, 3319309161

Edition: 3

File Details: PDF, 13.78 MB

Year: 2016

Language: English

SKU: EB-5605426 Category: Chemistry Tag: Errol G. Lewars (auth.)

Description

Computational Chemistry Introduction to the Theory and Applications of Molecular and Quantum Mechanics 3rd Edition by Errol G. Lewars – Ebook PDF Instant Download/Delivery: 3319309145, 978-3319309149
Full download Computational Chemistry Introduction to the Theory and Applications of Molecular and Quantum Mechanics 3rd Edition after payment

Product details:

ISBN 10: 3319309145
ISBN 13: 978-3319309149
Author: Errol G. Lewars

This is the third edition of the successful text-reference book that covers computational chemistry. It features changes to the presentation of key concepts and includes revised and new material with several expanded exercises at various levels such as ‘harder questions’ for those ready to be tested in greater depth – this aspect is absent from other textbooks in the field. Although introductory and assuming no prior knowledge of computational chemistry, it covers the essential aspects of the subject. There are several introductory textbooks on computational chemistry; this one is (as in its previous editions) a unique textbook in the field with copious exercises (and questions) and solutions with discussions. Noteworthy is the fact that it is the only book at the introductory level that shows in detail yet clearly how matrices are used in one important aspect of computational chemistry. It also serves as an essential guide for researchers, and as a reference book.

Computational Chemistry Introduction to the Theory and Applications of Molecular and Quantum Mechanics 3rd Table of contents:

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:

(Section 8.1) Solvation,

(Section 8.2) Singlet Diradicals,

(Section 8.3) A Note on Heavy Atoms and Transition Metals

9. Selected Literature Highlights, Books, Websites, Software and Hardware

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