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- 2011941760 abstract "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 presented in three volumes. Volume I introduces the different methods used in computational chemistry. Basic assumptions common to the majority of computational methods based on molecular, quantum, or statistical mechanics are outlined and special attention is paid to the limits of their applicability. Volume II portrays the applications of computational methods to model systems and discusses in detail molecular structures, the modelling 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. This volume also describes Nanomaterials and covers topics such as clusters, periodic, and nano systems. Special emphasis is placed on the environmental effects of nanostructures. Volume III is devoted to the important class of Biomolecules. Useful models of biological systems considered by computational chemists are provided and RNA, DNA and proteins are discussed in detail. This volume presents examples of calculations of their properties and interactions and reveals the role of solvents in biologically important reactions as well as the structure function relationship of various classes of Biomolecules -- Publisher.".
- 2011941760 contributor B12424305.
- 2011941760 date "2012".
- 2011941760 description "Includes bibliographical references and index.".
- 2011941760 description "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 presented in three volumes. Volume I introduces the different methods used in computational chemistry. Basic assumptions common to the majority of computational methods based on molecular, quantum, or statistical mechanics are outlined and special attention is paid to the limits of their applicability. Volume II portrays the applications of computational methods to model systems and discusses in detail molecular structures, the modelling 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. This volume also describes Nanomaterials and covers topics such as clusters, periodic, and nano systems. Special emphasis is placed on the environmental effects of nanostructures. Volume III is devoted to the important class of Biomolecules. Useful models of biological systems considered by computational chemists are provided and RNA, DNA and proteins are discussed in detail. This volume presents examples of calculations of their properties and interactions and reveals the role of solvents in biologically important reactions as well as the structure function relationship of various classes of Biomolecules -- Publisher.".
- 2011941760 extent "3 volumes (xx, 1430 pages) :".
- 2011941760 identifier "940070710X (set : cased)".
- 2011941760 identifier "9400707126 (set : bundle)".
- 2011941760 identifier "9789400707108 (set : cased)".
- 2011941760 identifier "9789400707122 (set : bundle)".
- 2011941760 isPartOf "Springer reference".
- 2011941760 isPartOf "Springer reference.".
- 2011941760 issued "2012".
- 2011941760 language "eng".
- 2011941760 subject "542.85 23".
- 2011941760 subject "Chemistry Mathematics Handbooks, manuals, etc.".
- 2011941760 subject "QD39.3.M3 H36 2012".
- 2011941760 title "Handbook of computational chemistry / Jerzy Leszczynski (ed.).".
- 2011941760 type "text".