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Table of Contents: ... Advanced Oxidation Processes in Environmental Remediation: Theoretical Chemistry Study -- Sulfate Radical-based Advanced Oxidation Processes for Water and Wastewater Disinfection -- Inactivation of Pathogenic Microorganisms with Sulfate Radical-based Advanced...

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Table of Contents: ...Theoretical Chemistry for Advanced Nanomaterials: Computational and Experimental Approaches -- Quantum Chemistry in Perovskite Fluoride and Hydride: Nanoscale Hydride Ion Conduction -- Local dielectric constant density analysis of high-k dielectric...

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Table of Contents: ...1. Introduction -- 2. Actual Potentials of Theoretical Chemistry: What Can Be Obtained -- 2-1 Molecular Structure -- 2-2 Chemical Bonds -- 2-3 Electronic Structures -- 2-4 Electronic Properties -- 2-5 Optical Properties -- 2-6 Mechanical Properties -- 2...

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...Developments in physical & theoretical chemistry...
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...Theoretical chemistry and computational modelling...
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