Structural Chemistry
Principles, Methods, and Case Studies
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Beschreibung
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.
Takes a multidisciplinary approach to chemistry
Is useful for experimentalists and theoreticians alike
Written by eminent academics and international researchers
Takes a multidisciplinary approach to chemistry Is useful for experimentalists and theoreticians alike Written by eminent academics and international researchers
Autor*in
Mihai V. Putz
Themen in »Structural Chemistry«
Structural chemistry Cluster Chemistry Coordination Chemistry Quantum Chemistry Atomic structure Electronic Structure Molecular Magnetism Wave function Density Functional Theory Electronegativity Hard and Soft Acid and Base HSAB theory Hybridization and Aromaticity Orbital hybridisation Aromaticity
Stimmen zu »Structural Chemistry«
“This impressive and hefty text offers a modern overview of quantum chemistry applied to systems ranging from single atoms to inorganic complexes to clusters. … Each chapter is followed by an extensive bibliography, and the plentiful illustrations are excellent. The scholarly apparatus consists of an appendix on atomic two-electron integrals and a thorough index. … Summing Up: Recommended. Graduate students through faculty and professionals.” (H. Goldwhite, Choice, Vol. 56 (03), November, 2018)
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