Download Exploring Chemical Concepts Through Theory and Computation 2024
Exploring Chemical Concepts Through Theory and Computation by Shubin Liu book pdf download, provides a comprehensive account of how the three widely used theoretical frameworks of valence bond theory, molecular orbital theory, and density functional theory, along with a variety of important chemical concepts, can between them describe and efficiently and reliably predict key chemical parameters and phenomena. By comparing the three main theoretical frameworks, readers will become competent in choosing the right modeling approach for their task.
Discusses topics including:
- Orbital-based approaches, density-based approaches, chemical bonding, partial charges, atoms in molecules, oxidation states, aromaticity and antiaromaticity, and acidity and basicity
- Electronegativity, hardness, softness, HSAB, sigma-hole interactions, charge transport and energy transfer, and homogeneous and heterogeneous catalysis
- Electrophilicity, nucleophilicity, cooperativity, frustration, homochirality, and energy decomposition
- Chemical concepts in solids, excited states, spectroscopy and machine learning, and catalysis and machine learning, as well as key connections between related concepts
eBook details
- Author (s): Shubin Liu
- Year of publication: 2024
- Publisher: Springer
- Language: English
- ISBN: 3527352481, 9783527352487, 9783527843428, 9783527843411, 9783527843435
- Number of pages: 594 pages
- Book format: PDF
- File size: 10 MB
