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Computational chemistry = introducti...

Lewars, Errol G.

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Computational chemistry = introduction to the theory and applications of molecular and quantum mechanics /

Record Type:	Electronic resources : Monograph/item
Title/Author:	Computational chemistry/ by Errol G. Lewars.
Reminder of title:	introduction to the theory and applications of molecular and quantum mechanics /
Author:	Lewars, Errol G.
Published:	Cham :Springer International Publishing : : 2016.,
Description:	xvi, 728 p. :ill. (some col.), digital ;24 cm.
[NT 15003449]:	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.
Contained By:	Springer eBooks
Subject:	Industrial Chemistry/Chemical Engineering. -
Online resource:	http://dx.doi.org/10.1007/978-3-319-30916-3
ISBN:	9783319309163$q(electronic bk.)

Computational chemistry = 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$q(electronic bk.)

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

890826
Industrial Chemistry/Chemical Engineering.

LC Class. No.: QD39.3.M3

Dewey Class. No.: 540.151

Computational chemistry = introduction to the theory and applications of molecular and quantum mechanics /
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100 1 $a Lewars, Errol G. $3 928018
245 1 0 $a Computational chemistry $h [electronic resource] : $b introduction to the theory and applications of molecular and quantum mechanics / $c by Errol G. Lewars.
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260 $a Cham : $b Springer International Publishing : $b Imprint: Springer, $c 2016.
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 Math. Applications in Chemistry. $3 890896
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