{"product_id":"chemical-reactivity-volume-2-approaches-and-applications-paperback-9780323902595","title":"Chemical Reactivity; Volume 2: Approaches and Applications (Paperback \/ softback) 9780323902595","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 2: Approaches and Applications\u003c\/font\u003e\u003c\/p\u003e\r\n\r\n\u003cp\u003e\u003cem\u003eA comprehensive collection of the latest methods and approaches 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\"\u003e9780323902595, 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\"\u003e500 pages, Approx. 105 illustrations\u003cbr\u003e22.9 x 15.2 x 3.1 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. Exploring both traditional and advanced methods, \u003ci\u003eChemical Reactivity, Volume 2: Approaches and Applications\u003c\/i\u003e present the latest approaches and strategies for the computational assessment of chemical reactivity.\u003cbr\u003e\u003cbr\u003eFollowing an insightful introduction, the book begins with an overview of conformer searching techniques before progressing to explore numerous different techniques and methods, including confined environments, quantum similarity descriptors, volume-based thermodynamics and polarizability. A unified approach to the rules of aromaticity is followed by methods for assessing interaction energies and the role of electron density for varied different analyses. Algorithms for confirmer searching, partitioning and a whole range of quantum chemical methods are also discussed.\u003cbr\u003e\u003cbr\u003eConsolidating the knowledge of a global team of experts in the field,\u003ci\u003e Chemical Reactivity, Volume 2: Approaches and Applications\u003c\/i\u003e is a useful resource for both students and researchers interested in applying and refining their use of the latest approaches for assessing chemical reactivity in their own work.\u003c\/font\u003e\u003c\/strong\u003e\u003c\/p\u003e\r\n\r\n\u003cp\u003e\u003cfont size=\"3\"\u003e\u003cp\u003e1. Applications of the quantum theory of atoms in molecules in chemical reactivity\u003c\/p\u003e \u003cp\u003e2. Exploring chemical space with alchemical derivatives\u003c\/p\u003e \u003cp\u003e3. Quantum chemical descriptors as a modeling framework for large biological structures\u003c\/p\u003e \u003cp\u003e4. Quantum chemical reactivity, mutations, and reality: narrative essay\u003c\/p\u003e \u003cp\u003e5. Volume-based thermodynamics approach in the context of solid-state chemical reactivity analysis\u003c\/p\u003e \u003cp\u003e6. Predicting reactivity with a general-purpose reactivity indicator\u003c\/p\u003e \u003cp\u003e7. Components of density functional reactivity theory-based stabilization energy: descrip\u003c\/p\u003e \u003cp\u003e8. Electronegativity equalization principle: new approaches and models for the study of chemical reactivity\u003c\/p\u003e \u003cp\u003e9. Electrophilic aromatic substitution: from isolated reactant approaches to chemical reactivity in solvent\u003c\/p\u003e \u003cp\u003e10. Lessons from the maximum hardness principle\u003c\/p\u003e \u003cp\u003e11. Electron density to analyze acids and bases of Lewis: computational tools\u003c\/p\u003e \u003cp\u003e12. Phase modeling of donor–acceptor systems, continuity relations, and resultant entropy\/information descriptors\u003c\/p\u003e \u003cp\u003e13. Understanding odd-electron halogen bonding in the light of chemical reactivity indices\u003c\/p\u003e \u003cp\u003e14. Using conceptual DFT for studies of metal complexes: some interesting examples\u003c\/p\u003e \u003cp\u003e15. Noniterative solvation energy method based on atomic charges\u003c\/p\u003e \u003cp\u003e16. Chemical reactivity in confined environment\u003c\/p\u003e \u003cp\u003e17. Structure prediction using reactivity descriptors\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":46651102560536,"sku":"9780323902595","price":135.65,"currency_code":"GBP","in_stock":false}],"thumbnail_url":"\/\/cdn.shopify.com\/s\/files\/1\/0730\/2037\/5320\/products\/9780323902595_20fcab6a-286b-404f-8a9b-b5ada1ce752c.jpg?v=1694993267","url":"https:\/\/freshlyprintedbooks.co.uk\/products\/chemical-reactivity-volume-2-approaches-and-applications-paperback-9780323902595","provider":"Freshly Printed Books","version":"1.0","type":"link"}