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Structural Chemistry = Principles, Methods, and Case Studies /

紀錄類型:	書目-語言資料,印刷品 : Monograph/item
正題名/作者:	Structural Chemistry/ by Mihai V. Putz, Fanica Cimpoesu, Marilena Ferbinteanu.
其他題名:	Principles, Methods, and Case Studies /
作者:	Putz, Mihai V.
其他作者:	Cimpoesu, Fanica.
面頁冊數:	XXX, 802 p. 193 illus., 177 illus. in color.online resource. :
Contained By:	Springer Nature eBook
標題:	Chemistry, Physical and theoretical. -
電子資源:	https://doi.org/10.1007/978-3-319-55875-2
ISBN:	9783319558752

Structural Chemistry = Principles, Methods, and Case Studies /
Putz, Mihai V.

Structural ChemistryPrinciples, Methods, and Case Studies /[electronic resource] :by Mihai V. Putz, Fanica Cimpoesu, Marilena Ferbinteanu. - 1st ed. 2018. - XXX, 802 p. 193 illus., 177 illus. in color.online resource.

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.

ISBN: 9783319558752

Standard No.: 10.1007/978-3-319-55875-2doiSubjects--Topical Terms:

557299
Chemistry, Physical and theoretical.

LC Class. No.: QD450-801

Dewey Class. No.: 541.2

Structural Chemistry = Principles, Methods, and Case Studies /
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