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Titlebook: Structural Chemistry; Principles, Methods, Mihai V. Putz,Fanica Cimpoesu,Marilena Ferbinteanu Book 2018 Springer International Publishing A

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发表于 2025-3-21 18:23:32 | 显示全部楼层 |阅读模式
书目名称Structural Chemistry
副标题Principles, Methods,
编辑Mihai V. Putz,Fanica Cimpoesu,Marilena Ferbinteanu
视频video
概述Takes a multidisciplinary approach to chemistry.Is useful for experimentalists and theoreticians alike.Written by eminent academics and international researchers
图书封面Titlebook: Structural Chemistry; Principles, Methods, Mihai V. Putz,Fanica Cimpoesu,Marilena Ferbinteanu Book 2018 Springer International Publishing A
描述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..
出版日期Book 2018
关键词Structural chemistry; Cluster Chemistry; Coordination Chemistry; Quantum Chemistry; Atomic structure; Ele
版次1
doihttps://doi.org/10.1007/978-3-319-55875-2
isbn_softcover978-3-030-09613-7
isbn_ebook978-3-319-55875-2
copyrightSpringer International Publishing AG, part of Springer Nature 2018
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Book 2018nsition 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..
发表于 2025-3-22 07:55:00 | 显示全部楼层
Atomic Structure and Quantum Mechanics,tion of matter and the structure of atoms, mentioning Bohr’s crude model and, subsequently, the quantum mechanics frame. A brief introduction to quantum theory, operator and matrix techniques is provided, with annotations explaining the intriguing puzzle of the facts and non-intuitive reasons that c
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Wave Function Theories and Electronic Structure Methods: Quantum Chemistry, from Atoms to Moleculesf electronic structure theories, constituting the keystone of the developments debated in the next chapters. The Slater determinants are introduced as primitives for the construction of many-electrons wave functions, using the one-electron orbital functions as basic ingredients. The orbitals, known
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New Keys for Old Keywords: Hybridization and Aromaticity, Graphs and Topology,l branches, are revisited with state-of-the-art methodologies, from an original perspective. We find that the celebrated hybrids made of s and p orbitals have not fallen into caducity, as too simple for applied structural chemistry, good only for the kindergarten of elementary chemical training. Loo
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Coordination Bonding: Electronic Structure and Properties,tinides) are linked to molecules that may have standalone identity (the ligands), showing local connectivities (coordination numbers) larger than those presumable by the valence rules. The supplement of linkage capabilities is realized by weak bonding interactions, ionic and partly covalent. This si
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The Modeling in Molecular Magnetism,thetic or instrumental, as well as analytic spirits, dealing with concepts and computation. It was born about two decades before the end of the past millennium and is still vivid nowadays, forty years later. Molecular magnetism, the new face of magneto-chemistry, has grown symbiotically with modern
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