{"product_id":"chemical-reactivity-in-confined-systems","title":"Chemical Reactivity in Confined Systems","description":"\u003cp\u003e\u003cb\u003eAn insightful analysis of confined chemical systems for theoretical and experimental scientists  \u003c\/b\u003e\u003c\/p\u003e \u003cp\u003e\u003ci\u003eChemical Reactivity in Confined Systems: Theory and Applications\u003c\/i\u003e presents a theoretical basis for the molecular phenomena observed in confined spaces. The book highlights state-of-the-art theoretical and computational approaches, with a focus on obtaining physically relevant clarification of the subject to enable the reader to build an appreciation of underlying chemical principles. \u003c\/p\u003e \u003cp\u003eThe book includes real-world examples of confined systems that highlight how the reactivity of atoms and molecules change upon encapsulation. Chapters include discussions on recent developments related to several host-guest systems, including cucurbit[n]uril, ExBox+4, clathrate hydrates, octa acid cavitand, metal organic frameworks (MOFs), covalent organic frameworks (COFs), zeolites, fullerenes, and carbon nanotubes. Readers will learn how to carry out new calculations to understand the physicochemical behavior of confined quantum systems.  \u003c\/p\u003e \u003cp\u003eTopics covered include: \u003c\/p\u003e \u003cul\u003e\n\u003cli\u003eA thorough introduction to global reactivity descriptors, including electronegativity, hardness, and electrophilicity \u003c\/li\u003e\n\u003cli\u003eAn exploration of the Fukui function, as well as dual descriptors, higher order derivatives, and reactivity through information theory \u003c\/li\u003e\n\u003cli\u003eA practical discussion of spin dependent reactivity and temperature dependent reactivity \u003c\/li\u003e\n\u003cli\u003eConcise treatments of population analysis, reaction force, electron localization functions, and the solvent effect on reactivity \u003c\/li\u003e\n\u003c\/ul\u003e \u003cp\u003ePerfect for academic researchers and graduate students in theoretical and computational chemistry and confined chemical systems, \u003ci\u003eChemical Reactivity in Confined Systems: Theory and Applications\u003c\/i\u003e will also earn a place in the libraries of professionals working in the areas of catalysis, supramolecular chemistry, and porous materials. \u003c\/p\u003e","brand":"John Wiley \u0026 Sons Inc","offers":[{"title":"Default Product","offer_id":54218014818648,"sku":"9781119684022","price":204.54,"currency_code":"EUR","in_stock":true}],"thumbnail_url":"\/\/cdn.shopify.com\/s\/files\/1\/0278\/1295\/4195\/files\/9781119684022__67c1e2677dc3c_25747453-7bc9-4a2c-a2ae-bb2a1b033851.jpg?v=1741157370","url":"https:\/\/agendabookshop.com\/products\/chemical-reactivity-in-confined-systems","provider":"Agenda Bookshop","version":"1.0","type":"link"}