Computational Chemistry
Introduction to the Theory and Applications of Molecular and Quantum Mechanics
Autoren: Lewars, Errol G.
Vorschau- Well regarded textbook with numerous questions and answers
- Places concepts and procedures in a historical context; this makes it much easier to appreciate their significance
- Shows in detail the use of matrix algebra in connection with an important procedure
- Contains newly presented concepts
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- Über dieses Lehrbuch
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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.
- Über die Autor*innen
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Prof. Dr. E.G. Lewars
Errol G. Lewars obtained his Ph.D. with Peter Yates at the University of Toronto, synthesizing “unnatural products”, then worked with R. B. Woodward at Harvard on vitamin B12, and with J. F. King at the University of Western Ontario on organosulfur compounds.He is currently Professor of Chemistry at Trent University, Peterborough, Ontario, Canada. The development of methods which provided a realistic assessment of the properties of unknown compounds induced him to move into computational chemistry.His work “Computational Chemistry. An Introduction to the Theory and Applications of Molecular and Quantum Mechanics” (published by Kluwer, 2003) was named as CHOICE magazine's "Outstanding Academic Title" of 2004. - Stimmen zum Buch
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Selected by Choice magazine as an Outstanding Academic Title for 2017
“This third edition by Lewars (Trent Univ., Peterborough, Ontario, Canada) continues the excellent treatment of computational chemistry (i.e., molecular modeling). … This is a thoroughly outstanding and motivational text. Summing Up: Essential. Upper-division undergraduates and above; faculty and professionals.” (A. E. Viste, Choice, Vol. 54 (10), June, 2017)
- Inhaltsverzeichnis (9 Kapitel)
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An Outline of What Computational Chemistry Is All About
Seiten 1-8
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The Concept of the Potential Energy Surface
Seiten 9-49
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Molecular Mechanics
Seiten 51-99
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Introduction to Quantum Mechanics in Computational Chemistry
Seiten 101-191
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Ab initio Calculations
Seiten 193-419
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Inhaltsverzeichnis (9 Kapitel)
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Bibliografische Information
- Bibliographic Information
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- Buchtitel
- Computational Chemistry
- Buchuntertitel
- Introduction to the Theory and Applications of Molecular and Quantum Mechanics
- Autoren
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- Errol G. Lewars
- Copyright
- 2016
- Verlag
- Springer International Publishing
- Copyright Inhaber
- Springer International Publishing Switzerland
- eBook ISBN
- 978-3-319-30916-3
- DOI
- 10.1007/978-3-319-30916-3
- Hardcover ISBN
- 978-3-319-30914-9
- Softcover ISBN
- 978-3-319-80915-1
- Auflage
- 3
- Seitenzahl
- XVI, 728
- Anzahl der Bilder
- 204 schwarz-weiß Abbildungen, 7 Abbildungen in Farbe
- Themen
