{"product_id":"density-functional-methods-in-chemistry-and-materials-science-hardback-9780471967590","title":"Density-Functional Methods in Chemistry and Materials Science (Hardback) 9780471967590","description":"\u003cfont face=\"Georgia\"\u003e\r\n\u003cp\u003e\u003cfont size=\"6\"\u003eDensity-Functional Methods in Chemistry and Materials Science\u003c\/font\u003e\u003cbr\u003e\r\n\r\n\r\n\r\n\r\n\r\n\u003c\/p\u003e\n\u003cp\u003e\u003cfont size=\"4\"\u003eMichael Springborg (Edited by), M Springborg (Author)\u003c\/font\u003e\u003c\/p\u003e\r\n\r\n\u003cp\u003e\u003cfont size=\"3\"\u003e9780471967590, Wiley\u003c\/font\u003e\u003c\/p\u003e\r\n\r\n\u003cp\u003e\u003cfont size=\"3\"\u003eHardback, published 15 August 1997\u003c\/font\u003e\u003c\/p\u003e\r\n\r\n\u003cp\u003e\u003cfont size=\"3\"\u003e376 pages\u003cbr\u003e25 x 19.4 x 3.2 cm, 0.907 kg\u003c\/font\u003e\u003c\/p\u003e\r\n\r\n\r\n\r\n\r\n\r\n\u003cp align=\"justify\"\u003e\u003cstrong\u003e\u003cfont size=\"3\"\u003e\u003cp\u003eUsed in materials science, physical chemistry and physics, density functional methods provide a unifying description of electronic properties applicable to all materials while also giving specific information on the system under study. A large number of very different materials and systems (atoms, molecules, macromolecules, clusters, bulk solids, surfaces and interfaces) are presently being studied with methods based on density functional formalism. \u003ci\u003eDensity Functional Methods in Chemistry and Materials Science\u003c\/i\u003e reports the results of this research. This book will be of particular interest to those research materials science from a theoretical standpoint. This work will demonstrate how the formalism has become a methodology leading to useful information on structural and electronic properties of a broad range of materials.\u003c\/p\u003e\u003c\/font\u003e\u003c\/strong\u003e\u003c\/p\u003e\r\n\r\n\u003cp\u003e\u003cfont size=\"3\"\u003eDensity-Functional Formalisms -\u003cbr\u003e Foundations, Limitations And Applications\u003cbr\u003e\u003cbr\u003e Acidity and Basicity: The Role of Electronegativity\u003cbr\u003e\u003cbr\u003e Hardness And Softness\u003cbr\u003e\u003cbr\u003e Some Recent Density-Functional Studies of Molecular Systems\u003cbr\u003e\u003cbr\u003e Density Functional Theory as a Practical Tool in Studies of Transition Metal Chemistry and Catalysis\u003cbr\u003e\u003cbr\u003e Clusters -\u003cbr\u003e A Density Functional Story\u003cbr\u003e\u003cbr\u003e Calculations of EPR Parameters and Radical-Matrix Interpretations\u003cbr\u003e\u003cbr\u003e Density Functional Studies of Spin Coupled Transition Metal Dimer and Tetramer Complexes\u003cbr\u003e\u003cbr\u003e Calculations of Chemical Processes in Solution by Density Functional and other Quantum Mechanical Techniques\u003cbr\u003e\u003cbr\u003e Structural and Electronic Properties of Polymeric Systems\u003cbr\u003e\u003cbr\u003e Electronic Structure Calculations for Crystalline Materials\u003cbr\u003e\u003cbr\u003e Point Defects in Solids\u003cbr\u003e\u003cbr\u003e Cluster Expansions: The Link Between Density Functional Methods and Alloy Thermodynamics.\u003c\/font\u003e\u003c\/p\u003e\r\n\r\n\u003cp\u003e\u003cfont size=\"3\"\u003eSubject Areas: Chemistry [\u003ca title=\"See our other books on Chemistry\" href=\"https:\/\/freshlyprintedbooks.co.uk\/search?q=%22Chemistry%20%5BPN%5D%22\"\u003ePN\u003c\/a\u003e]\u003c\/font\u003e\u003c\/p\u003e\r\n\r\n\r\n\u003c\/font\u003e","brand":"Wiley","offers":[{"title":"Brand New","offer_id":52316708143384,"sku":"9780471967590","price":309.89,"currency_code":"GBP","in_stock":true}],"thumbnail_url":"\/\/cdn.shopify.com\/s\/files\/1\/0730\/2037\/5320\/files\/9780471967590.jpg?v=1781822312","url":"https:\/\/freshlyprintedbooks.co.uk\/products\/density-functional-methods-in-chemistry-and-materials-science-hardback-9780471967590","provider":"Freshly Printed Books","version":"1.0","type":"link"}