{"product_id":"chemical-reactivity-volume-1-theories-and-principles-paperback-9780323902571","title":"Chemical Reactivity; Volume 1: Theories and Principles (Paperback \/ softback) 9780323902571","description":"\u003cfont face=\"Georgia\"\u003e\r\n\u003cp\u003e\u003cfont size=\"6\"\u003eChemical Reactivity\u003c\/font\u003e\u003cbr\u003e\r\n\u003cfont size=\"5\"\u003eVolume 1: Theories and Principles\u003c\/font\u003e\u003c\/p\u003e\r\n\r\n\u003cp\u003e\u003cem\u003eAn insightful overview of the latest developments in theoretical and computational chemistry principles and theories for chemical reactivity assessment\u003c\/em\u003e\u003c\/p\u003e\r\n\r\n\r\n\u003cp\u003e\u003cfont size=\"4\"\u003eSavas Kaya (Edited by), Laszlo von Szentpaly (Edited by), Goncagul Serdaroglu (Edited by), Lei Guo (Edited by)\u003c\/font\u003e\u003c\/p\u003e\r\n\r\n\u003cp\u003e\u003cfont size=\"3\"\u003e9780323902571, Elsevier Science\u003c\/font\u003e\u003c\/p\u003e\r\n\r\n\u003cp\u003e\u003cfont size=\"3\"\u003ePaperback \/ softback, published 18 May 2023\u003c\/font\u003e\u003c\/p\u003e\r\n\r\n\u003cp\u003e\u003cfont size=\"3\"\u003e606 pages, Approx. 115 illustrations\u003cbr\u003e22.9 x 15.2 x 3.7 cm, 0.45 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\"\u003eThe growth of technology for chemical assessment has led to great developments in the investigation of chemical reactivity in recent years, but key information is often dispersed across many different research fields. Combining both original principles and the cutting-edge theories used in chemical reactivity analysis, \u003ci\u003eChemical Reactivity, Volume 1\u003c\/i\u003e present the latest developments in theoretical chemistry and its application for the assessment of chemical processes.\u003cbr\u003e\u003cbr\u003eBeginning with an exploration of different theories and principles relating to electronic structure and reactivity of confined electronic systems, the book goes on to highlight key information on such topics as Dyson orbitals, target-ion overlaps, reaction fragility, magnetizability principles and the Fuki function. Density Functional Theory is discussed in relation to numerous different principles and approaches, with further information on constrained methods and diabatic models, bonding evolution theory, orbital-based population analysis models and charge transfer models, and Quantum chemistry and QTAIM.\u003cbr\u003e\u003cbr\u003eConsolidating the knowledge of a global team of experts in the field,\u003ci\u003e Chemical Reactivity, Volume 1: Theories and Principles\u003c\/i\u003e is a useful resource for both students and researchers interested in gaining greater understanding of the principles and theories underpinning chemical reactivity analysis.\u003c\/font\u003e\u003c\/strong\u003e\u003c\/p\u003e\r\n\r\n\u003cp\u003e\u003cfont size=\"3\"\u003e\u003cp\u003e1. The importance of correlation in the molecular orbital picture\u003c\/p\u003e \u003cp\u003e2. Dyson orbitals and chemical bonding\u003c\/p\u003e \u003cp\u003e3. Coupled-cluster theory and chemical reactivity\u003c\/p\u003e \u003cp\u003e4. New developments in the Interacting Quantum Atoms (IQA) approach\u003c\/p\u003e \u003cp\u003e5. Conceptual Ruedenberg theory of chemical bonds: the necessary step beyond conceptual DFT\u003c\/p\u003e \u003cp\u003e6. Electron-density-based analysis and electron density functional theory (DFT) methods\u003c\/p\u003e \u003cp\u003e7. Information-theoretic concepts in theory of electronic structure and chemical reactivity\u003c\/p\u003e \u003cp\u003e8. Excited-state density functional theory\u003c\/p\u003e \u003cp\u003e9. Reaction fragility method: monitoring evolution of atoms and bonds on a reaction path\u003c\/p\u003e \u003cp\u003e10. Looking behind the scenes of Grubbs catalysis with the Unified Reaction Valley Approach\u003c\/p\u003e \u003cp\u003e11. The diabatic model of intermediate stabilization for reaction mechanism analysis: a link to valence bond and Marcus theories\u003c\/p\u003e \u003cp\u003e12. Main concepts and applications of DFTB approach\u003c\/p\u003e \u003cp\u003e13. Chemical reactivity insights from the use of constrained methods\u003c\/p\u003e \u003cp\u003e14. On the analysis of the Fukui function\u003c\/p\u003e \u003cp\u003e15. Analytic calculation of Fukui functions and related reactivity descriptors\u003c\/p\u003e \u003cp\u003e16. New insights from a bonding evolution theory based on the topological analysis of the electron localization function\u003c\/p\u003e \u003cp\u003e17. Experimental quantum chemistry and chemical reactivity\u003c\/p\u003e \u003cp\u003e18. Quantum similarity description of a unique classical and quantum QSPR algorithm in molecular spaces: the connection with Boolean hypercubes, algorithmic intelligence, and Gödel’s incompleteness theorems\u003c\/p\u003e\u003c\/font\u003e\u003c\/p\u003e\r\n\r\n\u003cp\u003e\u003cfont size=\"3\"\u003eSubject Areas: Physical chemistry [\u003ca title=\"See our other books on Physical chemistry\" href=\"https:\/\/freshlyprintedbooks.co.uk\/search?q=%22Physical%20chemistry%20%5BPNR%5D%22\"\u003ePNR\u003c\/a\u003e]\u003c\/font\u003e\u003c\/p\u003e\r\n\r\n\r\n\u003c\/font\u003e","brand":"Elsevier","offers":[{"title":"Default Title","offer_id":46651102036248,"sku":"9780323902571","price":135.65,"currency_code":"GBP","in_stock":false}],"thumbnail_url":"\/\/cdn.shopify.com\/s\/files\/1\/0730\/2037\/5320\/products\/9780323902571_27412f56-c1c6-4050-bd2b-0bacc179ecd9.jpg?v=1694993258","url":"https:\/\/freshlyprintedbooks.co.uk\/products\/chemical-reactivity-volume-1-theories-and-principles-paperback-9780323902571","provider":"Freshly Printed Books","version":"1.0","type":"link"}