Structural Chemistry

Principles, Methods, and Case Studies

Nonfiction, Science & Nature, Science, Chemistry, Physical & Theoretical, Technology, Material Science
Cover of the book Structural Chemistry by Fanica Cimpoesu, Marilena Ferbinteanu, Mihai V. Putz, Springer International Publishing
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Author: Fanica Cimpoesu, Marilena Ferbinteanu, Mihai V. Putz ISBN: 9783319558752
Publisher: Springer International Publishing Publication: March 24, 2018
Imprint: Springer Language: English
Author: Fanica Cimpoesu, Marilena Ferbinteanu, Mihai V. Putz
ISBN: 9783319558752
Publisher: Springer International Publishing
Publication: March 24, 2018
Imprint: Springer
Language: English

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.

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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.

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