00475oas 2200169z- 450 996461846803316(CKB)1000000000291510(EXLCZ)99100000000029151020191120cuuuuuuuu -u- -engSolutions - for People, Processes and PaperSparta, United StatesSOLUTIONS - FOR PEOPLE, PROCESSES & PAPERJOURNAL996461846803316Solutions2033268UNISA03711nam 22005535 450 991029859740332120250609111448.03-319-55875-710.1007/978-3-319-55875-2(CKB)4100000002891979(MiAaPQ)EBC5387466(DE-He213)978-3-319-55875-2(PPN)225552604(MiAaPQ)EBC5595743(EXLCZ)99410000000289197920180324d2018 u| 0engurcnu||||||||rdacontentrdamediardacarrierStructural Chemistry Principles, Methods, and Case Studies /by Mihai V. Putz, Fanica Cimpoesu, Marilena Ferbinteanu1st ed. 2018.Cham :Springer International Publishing :Imprint: Springer,2018.1 online resource (825 pages) color illustrations3-319-55873-0 Includes bibliographical references and index.Atomic Structure and Quantum Mechanics -- Wave Function Theories and Electron Structure Methods. Quantum Chemistry, from Atoms to Molecules -- Density Functional Theory: from conceptual level towards practical functionality -- Bond! Chemical Bond. Electron Structure Methods at Work -- New keys for Old Keywords. Hybridization and Aromaticity, Graphs and Topology -- The Coordination Bonding. Electronic Structure and Properties -- The Modelling in Molecular Magnetism -- Bonding in Rings and Clusters -- Add on. The Bondon-a new theory of electron effective coupling and density ensembles.This book explains key concepts in theoretical chemistry and explores practical applications in structural chemistry. For experimentalists, it highlights concepts that explain the underlying mechanisms of observed phenomena, and at the same time provides theoreticians with explanations of the principles and techniques that are important in property design. Themes covered include conceptual and applied wave functions and density functional theory (DFT) methods, electronegativity and hard and soft (Lewis) acid and base (HSAB) concepts, hybridization and aromaticity, molecular magnetism, spin transition and thermochromism. Offering insights into designing new properties in advanced functional materials, it is a valuable resource for undergraduates of physical chemistry, cluster chemistry and structure/reactivity courses as well as graduates and researchers in the fields of physical chemistry, chemical modeling and functional materials.Chemistry, Physical and theoreticalBuilding materialsChemistry, Physical and theoreticalTheoretical and Computational Chemistryhttps://scigraph.springernature.com/ontologies/product-market-codes/C25007Structural Materialshttps://scigraph.springernature.com/ontologies/product-market-codes/Z11000Physical Chemistryhttps://scigraph.springernature.com/ontologies/product-market-codes/C21001Chemistry, Physical and theoretical.Building materials.Chemistry, Physical and theoretical.Theoretical and Computational Chemistry.Structural Materials.Physical Chemistry.541.2Putz Mihai Vauthttp://id.loc.gov/vocabulary/relators/aut768322Cimpoesu Fanicaauthttp://id.loc.gov/vocabulary/relators/autFerbinteanu Marilenaauthttp://id.loc.gov/vocabulary/relators/autBOOK9910298597403321Structural Chemistry2495561UNINA