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Computational chemistryintroduction ...

Lewars, Errol G.

Computational chemistryintroduction to the theory and applications of molecular and quantum mechanics /

紀錄類型:	書目-電子資源 : Monograph/item
正題名/作者:	Computational chemistryby Errol G. Lewars.
其他題名:	introduction to the theory and applications of molecular and quantum mechanics /
作者:	Lewars, Errol G.
出版者:	Cham :Springer International Publishing :2016.
面頁冊數:	xvi, 728 p. :ill. (some col.), digital ;24 cm.
Contained By:	Springer eBooks
標題:	ChemistryMathematics.
電子資源:	http://dx.doi.org/10.1007/978-3-319-30916-3
ISBN:	9783319309163$q(electronic bk.)

Computational chemistryintroduction to the theory and applications of molecular and quantum mechanics /
Lewars, Errol G.

Computational chemistryintroduction to the theory and applications of molecular and quantum mechanics /[electronic resource] :by Errol G. Lewars. - 3rd ed. - Cham :Springer International Publishing :2016. - xvi, 728 p. :ill. (some col.), digital ;24 cm.

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.

ISBN: 9783319309163$q(electronic bk.)

Standard No.: 10.1007/978-3-319-30916-3doiSubjects--Topical Terms:

194742
Chemistry
--Mathematics.

LC Class. No.: QD39.3.M3

Dewey Class. No.: 540.151

Computational chemistryintroduction to the theory and applications of molecular and quantum mechanics /
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