Computational Chemistry

Introduction to the Theory and Applications of Molecular and Quantum Mechanics

Specificaties
Gebonden, blz. | Engels
Springer International Publishing | 3e druk, 2016
ISBN13: 9783319309149
Rubricering
Springer International Publishing 3e druk, 2016 9783319309149
Verwachte levertijd ongeveer 9 werkdagen

Samenvatting

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.

Specificaties

ISBN13:9783319309149
Taal:Engels
Bindwijze:gebonden
Uitgever:Springer International Publishing
Druk:3

Inhoudsopgave

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.<div><br/></div>

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        Computational Chemistry