{"product_id":"conceptual-density-functional-theory-towards-a-new-chemical-reactivity-theory-9783527348435","title":"Conceptual Density Functional Theory - Towards a New Chemical Reactivity Theory","description":"\u003cp\u003e\u003c\/p\u003e\u003cblockquote\u003e\n\u003cbr\u003eConceptual Density Functional Theory is a two-volume reference book that combines experimental and theoretical qualitative computing methods to reconcile empirical observations with silico calculations. It can predict properties like electronegativity,acidity\/basicity,strong covalent and weak intermolecular interactions,and chemical reactivity, making it applicable to almost all problems in applied chemistry. \u003c\/blockquote\u003e\u003cp\u003e\u003cstrong\u003eFormat\u003c\/strong\u003e: Hardback\u003cbr\u003e\u003cstrong\u003eLength\u003c\/strong\u003e: 720 pages\u003cbr\u003e\u003cstrong\u003ePublication date\u003c\/strong\u003e: 27 April 2022\u003cbr\u003e\u003cstrong\u003ePublisher\u003c\/strong\u003e: Wiley-VCH Verlag GmbH\u003cbr\u003e\u003c\/p\u003e \u003cp\u003e\u003cbr\u003eConceptual Density Functional Theory (DFT) is a groundbreaking resource that seamlessly integrates experimental and theoretical qualitative computing methods to establish a novel foundation for chemical reactivity. This comprehensive two-volume reference book elucidates how DFT can harmonize empirical observations with silico calculations employing density functional theory, molecular orbital theory, and valence bond theory. By leveraging its predictive capabilities, DFT finds widespread application in nearly all domains of applied chemistry, spanning from synthetic chemistry to catalyst design and materials characterization.\u003cbr\u003e\u003cbr\u003eEdited by a renowned expert in the field and featuring contributions from a diverse panel of international experts, this work delves into various topics, including:\u003cbr\u003e\u003cbr\u003eQualitative methods that empower the rationalization of chemical concepts derived from theory and computation.\u003cbr\u003eFundamental concepts such as the computation of chemical bonding, weak interactions, and reactivity.\u003cbr\u003eComputational approaches for chemical concepts in excited states, extended systems, and time-dependent processes.\u003cbr\u003e\u003cbr\u003eTheoretical chemists and physicists, as well as those utilizing theoretical calculations to address empirical problems, will greatly benefit from this book as it provides unique insights into how theory intersects with experimental data in the realm of qualitative computation.\u003c\/p\u003e\u003cp\u003e\u003cstrong\u003eWeight\u003c\/strong\u003e: 1642g\u003cbr\u003e\u003cstrong\u003eDimension\u003c\/strong\u003e: 253 x 176 x 44 (mm)\u003cbr\u003e\u003cstrong\u003eISBN-13\u003c\/strong\u003e: 9783527348435\u003c\/p\u003e","brand":"S Liu","offers":[{"title":"Hardback","offer_id":44106057384186,"sku":"9783527348435","price":200.3,"currency_code":"GBP","in_stock":true}],"thumbnail_url":"\/\/cdn.shopify.com\/s\/files\/1\/0522\/4297\/2845\/products\/1651834627718_book.jpg?v=1651901806","url":"https:\/\/shulphink.com\/products\/conceptual-density-functional-theory-towards-a-new-chemical-reactivity-theory-9783527348435","provider":"Shulph Ink","version":"1.0","type":"link"}