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Handbook of Computational Chemistry


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Hrsg. v. Jerzy Leszczynski

Online, Print + Online

Print: 2011, 2 Bände, 1.600 Seiten, gebunden

Verlag :: Publisher

Springer Nature


Preis :: Price

Preise auf Anfrage / Prices on request

Das Angebot richtet sich nicht an Verbraucher i. S. d. § 13 BGB und Letztverbraucher i. S. d. PAngV.


978-94-007-0711-5 (Online)

978-94-007-0712-2 (Print + Online)

Bestellnummer bei digento :: digento order number


Verlagsinformation :: Publisher's information

The role the Handbook of Computational Chemistry is threefold. It is primarily intended to be used as a guide that navigates the user through the plethora of computational methods currently in use; it explains their limitations and advantages; and it provides various examples of their important and varied applications. This reference work is in two parts. The first part consists of volume 1 which briefly describes different methods used in computational chemistry. Basic assumptions common to the majority of computational methods based on molecular, quantum, or statistical mechanics are outlined. Particular attention is paid to the limits of their applicability. The second part consists of a series of volumes exemplifying important applications of computational chemistry. Volume two describes applications of computational methods to model systems. It discusses in detail, molecular structures, the modeling of various properties of molecules and chemical reactions. Both ground and excited states properties are covered in the gas phase as well as in solution. Nanomaterials are described in volume three. Topics include clusters, periodic, and nano systems. Special emphasis is placed on the environmental effects of nanostructures. Volume four is devoted to an important class: Biomolecules. It provides useful models of biological systems considered by computational chemists. RNA, DNA and proteins are discussed in detail. Examples are given for calculations of their properties and interactions. The role of solvents in biologically important reactions is revealed, as well as the structure function relationship of various classes of Biomolecules.

About this book:

  • Coverage includes molecular mechanics, quantum mechanics, and statistical mechanics calculations
  • Provides an accessible introduction to the methods and concepts of computational and quantum chemistry
  • Reviews applications in Biomolecules and Nanostructures

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