{"product_id":"modelling-molecular-structures-isbn-9780471489931","title":"Modelling Molecular Structures","description":"The application of mathematical models to molecules has now reached maturity. Scientists as diverse as astrophysicists, biologists, chemists, materials scientists and zoologists can reach for their PC, Mac or laptop to model molecular phenomena of unbelievable complexity.\u003cbr\u003e Following the highly successful first edition of Modelling Molecular Structures, this newly updated edition is your guide through the myriad of applications for molecular modelling. This easy-to-read, highly illustrated text covers all areas of molecular modelling, including molecular dynamics, quantum mechanics, and the Hartree-Fock self-consistent field model, providing background information and critically discussing the latest techniques in the field.\u003cbr\u003e Covering developments in the field since the first publication, this title also includes updated text and new material on:\u003cbr\u003e * Molecular Dynamics\u003cbr\u003e * Dealing with the Solvent\u003cbr\u003e This title is an indispensable introduction for all chemists, materials scientists, molecular biologists, and researchers working in, and interested in, the field of molecular modelling.Die sorgfältig überarbeitete Neuauflage eines Bestsellers! Molekülmodellierung ist heutzutage in der Regel die Aufgabe von Computerprogrammen. Welche Ergebnisse man von welcher Software erwarten kann und wie man sie interpretieren soll, erfahren Sie in diesem Band. Der Einstieg in das Thema wird durch einen aufschlußreichen historischen Überblick erleichtert. (09\/00) Series Preface\u003cbr\u003e Preface to the First Edition\u003cbr\u003e Preface to the Second Edition\u003cbr\u003e Prerequisites\u003cbr\u003e Molecular Mechanics\u003cbr\u003e Dynamics\u003cbr\u003e The Hydrogen Molecule Ion\u003cbr\u003e The Hydrogen Molecule\u003cbr\u003e The Electron Density\u003cbr\u003e The Hartree-Fock Model\u003cbr\u003e The Hückel Model\u003cbr\u003e Neglect of Differential Overlap Models\u003cbr\u003e Basis Sets\u003cbr\u003e Ab Initio Packages\u003cbr\u003e Electron Correlation\u003cbr\u003e Slater's X Model\u003cbr\u003e Density Functional Therory\u003cbr\u003e Potential Energy Surfaces\u003cbr\u003e Dealing with the Solvent\u003cbr\u003e Primary Properties and their Derivatives\u003cbr\u003e Induced Properties\u003cbr\u003e Miscellany\u003cbr\u003e References\u003cbr\u003e Index  \u003cp\u003e\"... this excellent handbook should be on the desk of all interested in the use of computational methods in chemistry....\" (\u003cem\u003eApplied Organometallic Chemistry,\u003c\/em\u003e March 2001)\u003c\/p\u003e Alan Hnchliffe\u003cbr\u003e Department of Chemistry, UMIST, Manchester, UK The application of mathematical models to molecules has now reached maturity. Scientists as diverse as astrophysicists, biologists, chemists, materials scientists and zoologists can reach for their PC, Mac or laptop to model molecular phenomena of unbelievable complexity.\u003cbr\u003e Following the highly successful first edition of Modelling Molecular Structures, this newly updated edition is your guide through the myriad of applications for molecular modelling. This easy-to-read, highly illustrated text covers all areas of molecular modelling, including molecular dynamics, quantum mechanics, and the Hartree-Fock self-consistent field model, providing background information and critically discussing the latest techniques in the field.\u003cbr\u003e Covering developments in the field since the first publication, this title also includes updated text and new material on:\u003cbr\u003e * Molecular Dynamics\u003cbr\u003e \u003cbr\u003e * Dealing with the Solvent\u003cbr\u003e This title is an indispensable introduction for all chemists, materials scientists, molecular biologists, and researchers working in, and interested in, the field of molecular modelling.","brand":"Wiley","offers":[{"title":"Default Title","offer_id":47989638201573,"sku":"NP9780471489931","price":103.0,"currency_code":"USD","in_stock":false}],"thumbnail_url":"\/\/cdn.shopify.com\/s\/files\/1\/1842\/7735\/files\/9780471489931.jpg?v=1761784912","url":"https:\/\/k12savings.com\/products\/modelling-molecular-structures-isbn-9780471489931","provider":"K12savings","version":"1.0","type":"link"}