{"product_id":"advances-in-quantum-chemical-topology-beyond-qtaim-paperback-9780323908917","title":"Advances in Quantum Chemical Topology Beyond QTAIM (Paperback) 9780323908917","description":"\u003cfont face=\"Georgia\"\u003e\r\n\u003cp\u003e\u003cfont size=\"6\"\u003eAdvances in Quantum Chemical Topology Beyond QTAIM\u003c\/font\u003e\u003cbr\u003e\r\n\r\n\r\n\u003c\/p\u003e\n\u003cp\u003e\u003cem\u003eAuthoritative review of quantum theory of atoms and molecules (QTAIM), ranging from traditional principles to the latest state-of-the-art extensions\u003c\/em\u003e\u003c\/p\u003e\r\n\r\n\r\n\u003cp\u003e\u003cfont size=\"4\"\u003eJuan I. Rodriguez (Edited by), Fernando Cortés-Guzmán (Edited by), James S.M. Anderson (Edited by)\u003c\/font\u003e\u003c\/p\u003e\r\n\r\n\u003cp\u003e\u003cfont size=\"3\"\u003e9780323908917, Elsevier Science\u003c\/font\u003e\u003c\/p\u003e\r\n\r\n\u003cp\u003e\u003cfont size=\"3\"\u003ePaperback, published 16 December 2022\u003c\/font\u003e\u003c\/p\u003e\r\n\r\n\u003cp\u003e\u003cfont size=\"3\"\u003e568 pages\u003cbr\u003e22.9 x 15.2 x 3.5 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\"\u003e\u003cp\u003e\u003ci\u003eAdvances in Quantum Chemical Topology Beyond QTAIM\u003c\/i\u003e provides a complete overview of the field, starting with traditional methods and then covering key steps to the latest state-of-the-art extensions of QTAIM. The book supports researchers by compiling and reviewing key methods, comparing different algorithms, and providing computational results to show the efficacy of the approaches. Beginning with an introduction to quantum chemistry, QTAIM and key extensions, the book goes on to discuss interacting quantum atoms and related energy properties, explores partitioning methods, and compares algorithms for QTAIM. Partitioning schemes are them compared in more detail before applications are explored and future developments discussed.\u003c\/p\u003e  \u003cp\u003eDrawing together the knowledge of key authorities in the area, this book provides a comprehensive, pedogeological guide to this insightful theory for all those interested in modelling, exploring and understanding molecular properties.\u003c\/p\u003e\u003c\/font\u003e\u003c\/strong\u003e\u003c\/p\u003e\r\n\r\n\u003cp\u003e\u003cfont size=\"3\"\u003e\u003cp\u003e1. Introduction to QTAIM and beyond \u003ci\u003eFernando Cortés-Guzmán, \u003c\/i\u003e\u003ci\u003eJuan I. Rodríguez, and\u003c\/i\u003e\u003ci\u003e James S. M. Anderson \u003c\/i\u003e2. An Introduction to Quantum Chemistry \u003ci\u003eDavid C. Thompson and Juan I. Rodríguez \u003c\/i\u003e3. New high performance QTAIM algorithms: From organic photovoltaics to catalyst materials \u003ci\u003eJuan I. Rodríguez, Héctor Daniel Morales-Rodríguez, Emiliano Dorantes-Hernández and Omar A. Alvarez-Gonzaga \u003c\/i\u003e4. Structural and Bond Evolutions During a Chemical Reaction \u003ci\u003ePablo Carpio-Martínez and \u003c\/i\u003e\u003ci\u003eFernando Cortés-Guzmán \u003c\/i\u003e5. The MC-QTAIM: A framework for extending the \"atoms in molecules\" analysis beyond purely electronic systems \u003ci\u003eShant Shahbazian \u003c\/i\u003e6. Theory Developments and Applications of Next Generation QTAIM (NG-QTAIM) \u003ci\u003eXing Nie, Yong Yang, Tianlv Xu, \u003c\/i\u003e\u003ci\u003eSteven R. Kirk, and Samantha Jenkins \u003c\/i\u003e7. Real-Space Description of Molecular Processes in Electronic Excited States \u003ci\u003eJesús Jara-Cortés \u003c\/i\u003e\u003ci\u003eand Jesús Hernández-Trujillo \u003c\/i\u003e8. Open Quantum Systems, Electron Distribution Functions, Fragment Natural Orbitals and the Quantum Theory of Atoms in Molecules \u003ci\u003eEvelio Francisco, Aurora Costales and \u003c\/i\u003e\u003ci\u003eAngel Martin Pendas \u003c\/i\u003e9. The Ehrenfest Force \u003ci\u003eYoshio Barrera, Airi Kawasaki, Paul W. Ayers and James S. M. Anderson \u003c\/i\u003e10. Relativistic QTAIM \u003ci\u003eJames S. M. Anderson \u003c\/i\u003e11. Chemical insights from the Source Function reconstruction of various scalar fields relevant to Chemistry  \u003ci\u003eCarlo Gatti and Giovanna Bruno \u003c\/i\u003e12. Scalar and vector fields derived from magnetically induced current density  \u003ci\u003eJosé E. Barquera-Lozada \u003c\/i\u003e13. Gradient Bundles  \u003ci\u003eAmanda Morgenstern \u003c\/i\u003e14. Nonnuclear Maxima in the Molecular Electron Density \u003ci\u003eJames S. M. Anderson, Aldo de Jesus Mortera-Carbonell and \u003c\/i\u003e\u003ci\u003eChérif\u003c\/i\u003e\u003ci\u003e F. Matta \u003c\/i\u003e15. Spin Polarization of the Atomic Valence Shell in Metal Complexes. \u003ci\u003eDavid I. Ramírez-Palma, Ricardo Almada-Monter, Eduardo Orozco-Valdespino, Rosa María Gómez-Espinosa and \u003c\/i\u003e\u003ci\u003eFernando \u003c\/i\u003e\u003ci\u003eCortés-Guzmán\u003c\/i\u003e\u003ci\u003e \u003c\/i\u003e 16. A Bond Bundle Case Study of Diels-Alder Catalysis and Selectivity Using Oriented Electric Fields  \u003ci\u003eTimothy R. Wilson and M. E. Eberhart \u003c\/i\u003e17. Applications of the Quantum Theory of Atoms in Molecules and the Interacting Quantum Atoms Methods to the Study of Hydrogen Bonds \u003ci\u003eJosé Manuel Guevara-Vela, Alberto Fernández-Alarcón and \u003c\/i\u003e\u003ci\u003eTomás Rocha-Rinza\u003c\/i\u003e 18. Recent advances on halogen bonds within the quantum theory of atoms in molecules \u003ci\u003eVincent Tognetti and \u003c\/i\u003e\u003ci\u003eLaurent Joubert\u003c\/i\u003e 19. The Non-Covalent Interactions index: from biology to chemical reactivity and solid-state \u003ci\u003eBruno Landeros-Rivera and \u003c\/i\u003e\u003ci\u003eJulia Contreras-García \u003c\/i\u003e20. Photochemistry: a topological perspective \u003ci\u003eIsmael Vargas-Rodriguez and \u003c\/i\u003e\u003ci\u003eMarco García-Revilla\u003c\/i\u003e\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":46648081416472,"sku":"9780323908917","price":146.36,"currency_code":"GBP","in_stock":false}],"thumbnail_url":"\/\/cdn.shopify.com\/s\/files\/1\/0730\/2037\/5320\/products\/9780323908917.jpg?v=1694088143","url":"https:\/\/freshlyprintedbooks.co.uk\/products\/advances-in-quantum-chemical-topology-beyond-qtaim-paperback-9780323908917","provider":"Freshly Printed Books","version":"1.0","type":"link"}