{"product_id":"chemical-modeling-isbn-9780471999041","title":"Chemical Modeling","description":"Chemical Modeling: From Atoms to Liquids examines materials in terms of the basic properties of atoms, molecules and polymer chains. In particular, the interactions between these fundamental building blocks and the intermolecular and intramolecular potentials are examined. Fundamental theories of the constituent particles are covered, introducing and developing classical mechanics and quantum mechanics from basics. These theories are then applied to modeling, developing models from both classical mechanics and quantum mechanics. The book aims to make this subject both appealing and relevant, whilst avoiding excessive mathematical rigour.\u003cbr\u003e \u003cbr\u003e Carefully structured, the text starts by introducing classical, quantum and statistical mechanics, before moving on to cover the modeling of solids, gases and liquids. To bring the subject alive, many real life examples and applications have been included. This book brings together the often scattered and diffuse background information that is essential for a full understanding of chemical modeling.\u003cbr\u003e \u003cbr\u003e FEATURES\u003cbr\u003e \u003cbr\u003e · Assumes no prior knowledge of modeling\u003cbr\u003e \u003cbr\u003e · Brings together all the background information that a reader needs to know to fully understand modeling\u003cbr\u003e \u003cbr\u003e · Develops classical and quantum mechanical theories from basics\u003cbr\u003e \u003cbr\u003e · Avoids unnecessary mathematical rigour\u003cbr\u003e \u003cbr\u003e · Includes a detailed mathematical 'Toolbox' as a ready reference\u003cbr\u003e \u003cbr\u003e · Includes brief descriptions and web addresses of key software packages\u003cbr\u003e \u003cbr\u003e CONTENTS: Introduction; Acknowledgements; Software Packages; Describing Macroscopic Systems; Thermodynamics; Résumé of Classical Mechanics; Modeling Simple Solids (I); Introduction to Quantum Mechanics; Electric Multipoles, Polarizabilities and Intermolecular Forces; Some Statistical Ideas; Applications of the Boltzmann Distribution; Modeling Simple Solids (II); Molecular Mechanics: Molecular Dynamics and Monte Carlo Techniques; The Ideal Monatomic Gas; Quantum Gases; Introduction to Statistical Thermodynamics; Modeling Atoms; Diatomics; Quantum Modeling of Larger Systems; Describing Electron Correlation; The Band Theory of Solids; Modeling Polymeric Materials; Modeling Liquids; Appendices; Suggestions for Further Reading; Index.Eine Einfuhrung in die Molekulmodellierung fur Studenten der unteren Semester! Um die Ausfuhrungen des Autors zur klassischen und zur Quantenmechanik verstehen zu konnen, sind keine umfangreichen Vorkenntnisse erforderlich. Es werden statistische, thermodynamische, quantenmechanische und Monte-Carlo-Ansatze zur Modellierung von einfachen Festkorpern, Flussigkeiten, Atomen und gro?en Systemen wie Polymeren diskutiert. (09\/99)\u003cbr\u003e Describing Macroscopic Systems.\u003cbr\u003e \u003cbr\u003e Thermodynamics.\u003cbr\u003e \u003cbr\u003e Résumé of Classical Mechanics.\u003cbr\u003e \u003cbr\u003e Modeling Simple Solids (i).\u003cbr\u003e \u003cbr\u003e Introduction to Quantum Mechanics.\u003cbr\u003e \u003cbr\u003e Electric Multipoles, Polarizabilities and Intermolecular Forces.\u003cbr\u003e \u003cbr\u003e Some Statistical Ideas.\u003cbr\u003e \u003cbr\u003e Applications of the Boltzmann Distribution.\u003cbr\u003e \u003cbr\u003e Modeling Simple Solids (ii).\u003cbr\u003e \u003cbr\u003e Molecular Mechanics.\u003cbr\u003e \u003cbr\u003e Molecular Dynamics and Monte Carlo Techniques.\u003cbr\u003e \u003cbr\u003e The Ideal Monatomic Gas.\u003cbr\u003e \u003cbr\u003e Quantum Gases.\u003cbr\u003e \u003cbr\u003e Introduction to Statistical Thermodynamics.\u003cbr\u003e \u003cbr\u003e Modeling Atoms.\u003cbr\u003e \u003cbr\u003e Diatomics.\u003cbr\u003e \u003cbr\u003e Quantum Modeling of Larger Systems.\u003cbr\u003e \u003cbr\u003e Describing Electron Correlation.\u003cbr\u003e \u003cbr\u003e The Band Theory of Solids.\u003cbr\u003e \u003cbr\u003e Modeling Polymeric Materials.\u003cbr\u003e \u003cbr\u003e Modeling Liquids.\u003cbr\u003e \u003cbr\u003e Appendices.\u003cbr\u003e \u003cbr\u003e Suggestions for Further Reading.\u003cbr\u003e \u003cbr\u003e Index. \u003cp\u003e\"... the book is a valuable contribution to understanding the behavior of solids, liquids and gases....\" (\u003ci\u003eColloid Polymer Science,\u003c\/i\u003e June 2000)\u003c\/p\u003e \u003cp\u003e\"An achievement of the author is the presentation of such sophisticated material in an interesting way.\" (\u003ci\u003eHigh Temperatures - High Pressures,\u003c\/i\u003e Vol 32\/4, 2000)\u003c\/p\u003e \u003cp\u003e\"... an interesting, eclectic and comprehensive mix of concepts from theoretical and physical chemistry\" (\u003ci\u003eChemistry in Britain,\u003c\/i\u003e January 2000)\u003c\/p\u003e \u003cp\u003e\"... A book to be recommended and one that certainly deserves to become very popular — it will certainly be one of the well-worn books on my shelves. I hope it will run to several editions....\" (\u003ci\u003eTalanta,\u003c\/i\u003e Volume 51)\u003c\/p\u003e \u003cp\u003e\"... Any undergraduate taking a module in molecular modelling would do well to read this book....\" (\u003ci\u003eTHES Textbook Supplement\u003c\/i\u003e)\u003c\/p\u003e Alan Hinchliffe Department of Chemistry, UMIST, Manchester, UK. Chemical Modeling equips the reader with the knowledge to understand the behaviour of solids, gases and liquids in terms of the basic properties of their atoms, molecules, and polymer chains. In particular the interactions between these fundamental building blocks and the intermolecular and intramolecular potentials are examined. Carefully structured, the book starts by the discussion of classical, quantum and statistical mechanics which then leads on to a discussion of modeling techniques applied to solids, gases and liquids. The subject is brought to life through many real life examples and practical illustrations. Features\u003cbr\u003e * Classical mechanics and quantum mechanics are both introduced from a basic level\u003cbr\u003e * Explains the relationships between microscopic and macroscopic quantities\u003cbr\u003e * Gives an up-to-date treatment of a variety of chemical modeling techniques\u003cbr\u003e * Avoids unnecessary mathematical rigour\u003cbr\u003e * Carefully structured into 'bite-sized' chapters\u003cbr\u003e Ideal for undergraduates of chemistry, chemical physics, physics, materials science and polymer science.","brand":"Wiley","offers":[{"title":"Default Title","offer_id":47988906262757,"sku":"NP9780471999041","price":91.5,"currency_code":"USD","in_stock":false}],"thumbnail_url":"\/\/cdn.shopify.com\/s\/files\/1\/1842\/7735\/files\/9780471999041.jpg?v=1761781999","url":"https:\/\/k12savings.com\/es\/products\/chemical-modeling-isbn-9780471999041","provider":"K12savings","version":"1.0","type":"link"}