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Computational chemistry[electronic r...

Lewars, Errol G.

Computational chemistry[electronic resource] :introduction to the theory and applications of molecular and quantum mechanics /

紀錄類型:	書目-電子資源 : Monograph/item
杜威分類號:	540.151
書名/作者:	Computational chemistry : introduction to the theory and applications of molecular and quantum mechanics // by Errol G. Lewars.
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:	Chemistry - Mathematics.
標題:	Chemistry - Data processing.
標題:	Chemistry.
標題:	Theoretical and Computational Chemistry.
標題:	Math. Applications in Chemistry.
標題:	Industrial Chemistry/Chemical Engineering.
ISBN:	9783319309163
ISBN:	9783319309149
內容註:	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.
電子資源:	http://dx.doi.org/10.1007/978-3-319-30916-3

Computational chemistry[electronic resource] :introduction 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

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

554641
Chemistry
--Mathematics.

LC Class. No.: QD39.3.M3

Dewey Class. No.: 540.151

Computational chemistry[electronic resource] :introduction to the theory and applications of molecular and quantum mechanics /
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300 $a xvi, 728 p. : $b ill. (some col.), digital ; $c 24 cm.
505 0 $a 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.
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650 2 4 $a Industrial Chemistry/Chemical Engineering. $3 463779
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