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Onishi, Taku
2020
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...”2020
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Tanaka, Kazuyoshi
2020
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...”2020
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