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Concepts and Methods in Modern Theoretical Chemistry: Electronic Structure and Reactivity
Paperback
ISBN13: 9780367380328
Publisher: Crc Pr Inc
Published: Sep 23 2019
Pages: 498
Weight: 2.64
Height: 1.00 Width: 6.10 Depth: 9.10
Language: English
Offering chapters written by experts in their fields, this book focuses on the electronic structures and reactivities of atoms and molecules. It enables readers to learn how concepts from ab initio quantum chemistry and density functional theory (DFT) can be used to describe, understand, and predict electronic structure and chemical reactivity. Paying particular attention to current trends in the field, this book introduces modern electronic structure theory to the readers and describes various reactivity-related concepts like isomorphic local hardness, molecular electrostatic potentials, and spin vorticity.
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