Handbook Of Computational Chemistry 3 Vol Set 2nd Edition at Meripustak

Handbook Of Computational Chemistry 3 Vol Set 2nd Edition


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General Information  
Author(s)Jerzy Leszczynski and Anna Kaczmarek-Kedziera and Tomasz Puzyn and Manthos G Papadopoulos and Heribert Reis and Manoj Shukla
PublisherSpringer Publishing Company
Edition2nd Edition
ISBN9783319272818
Pages2381
BindingHardbound
LanguageEnglish
Publish YearJanuary 2017

Description

Springer Publishing Company Handbook Of Computational Chemistry 3 Vol Set 2nd Edition by Jerzy Leszczynski and Anna Kaczmarek-Kedziera and Tomasz Puzyn and Manthos G Papadopoulos and Heribert Reis and Manoj Shukla

The first part briefly describes different methods used in computational chemistry without going into exhaustive details of theory. Basic assumptions common to the majority of computational methods based on either quantum or statistical mechanics are outlined. Particular attention is paid to the limits of their applicability. The second part consists of a series of sections exemplifying the various, most important applications of computational chemistry. Molecular structures, modeling of various properties of molecules and chemical reactions are discussed. Both ground and excited state properties are covered in the gas phase as well as in solutions. Solid state materials and nanomaterials are described in part three. Amongst the topics covered are clusters, periodic structures, and nano-systems. Special emphasis is placed on the environmental effects of nanostructures. Part four is devoted to an important class of materials - biomolecules. It focuses on interesting models for biological systems that are studied 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 significant reactions is revealed, as well as the relationship between molecular structure and function of various classes of biomolecules. Part five features new b