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Symmetry and Localization of Crystalline Orbitalshysical and chemical properties of solids that depend on the electronic structure. The problem of nuclear motion is solved in approaches using molecular-dynamics methods . These approaches (not considered in this book) allow the study of thermodynamic and transport properties of solids and deser食道 发表于 2025-3-27 16:41:11
Modeling and LCAO Calculations of Point Defects in Crystalss TiO. from being used in largescale environmental applications. Chemical doping of TiO. allows the bandgap to be reduced. The theoretical study of the doped TiO. helps to solve the important problem: how to best manipulate the gap while maintaining the beneficial photocatalytic properties .Minatory 发表于 2025-3-27 19:17:46
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https://doi.org/10.1007/978-3-540-48748-7Adsorption; Electronic structure of crystals; Point defects; Quantum chemistry; Site symmetry; Surface mo细微差别 发表于 2025-3-28 07:38:25
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Quantum Chemistry of Solids978-3-540-48748-7Series ISSN 0171-1873 Series E-ISSN 2197-4179