Computational Chemistry Introduction to the Theory and Applications of Molecular and Quantum Mechanics /

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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...

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Detalles Bibliográficos
Clasificación:Libro Electrónico
Autor principal: Lewars, Errol G. (Autor)
Autor Corporativo: SpringerLink (Online service)
Formato: Electrónico eBook
Idioma:Inglés
Publicado: Cham : Springer International Publishing : Imprint: Springer, 2016.
Edición:3rd ed. 2016.
Temas:
Chemistry, Physical and theoretical.
Chemometrics.
Chemistry, Technical.
Theoretical Chemistry.
Mathematical Applications in Chemistry.
Industrial Chemistry.
Acceso en línea:Texto Completo

MARC

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100 1 |a Lewars, Errol G.  |e author.  |4 aut  |4 http://id.loc.gov/vocabulary/relators/aut 
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. 
250 |a 3rd ed. 2016. 
264 1 |a Cham :  |b Springer International Publishing :  |b Imprint: Springer,  |c 2016. 
300 |a XVI, 728 p. 211 illus., 7 illus. in color.  |b online resource. 
336 |a text  |b txt  |2 rdacontent 
337 |a computer  |b c  |2 rdamedia 
338 |a online resource  |b cr  |2 rdacarrier 
347 |a text file  |b PDF  |2 rda 
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. 
520 |a 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. 
650 0 |a Chemistry, Physical and theoretical. 
650 0 |a Chemometrics. 
650 0 |a Chemistry, Technical. 
650 1 4 |a Theoretical Chemistry. 
650 2 4 |a Mathematical Applications in Chemistry. 
650 2 4 |a Industrial Chemistry. 
710 2 |a SpringerLink (Online service) 
773 0 |t Springer Nature eBook 
776 0 8 |i Printed edition:  |z 9783319309149 
776 0 8 |i Printed edition:  |z 9783319309156 
776 0 8 |i Printed edition:  |z 9783319809151 
856 4 0 |u https://doi.uam.elogim.com/10.1007/978-3-319-30916-3  |z Texto Completo 
912 |a ZDB-2-CMS 
912 |a ZDB-2-SXC 
950 |a Chemistry and Materials Science (SpringerNature-11644) 
950 |a Chemistry and Material Science (R0) (SpringerNature-43709) 

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