Molecular Cluster Approach to Electronic State and Chemical Bonding in Metallic Materials
スポンサーリンク
概要
著者
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ADACHI Hirohiko
Department of materials science and engineering, Kyoto University
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Adachi Hirohiko
Department Of Materials Science And Engineering Kyoto University
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Adachi Hirohiko
Department Of Chemistry Hyogo University Of Teacher Education
関連論文
- Theoretical Investigation of Al K-edge X-ray Absorption Spectra of Al, AlN and Al_2O_3
- Evaluation of Migration Energy of Lithium Ions in Chalcogenides and Halides by First Principles Calculation
- First Principles Study of Core-hole Effect on Fluorine K-edge X-ray Absorption Spectra of MgF_2 and ZnF_2
- Plasma Irradiation Effects on Nd-Ce-Cu-O and La-Sr-Cu-O Thin Films
- Superconductivity in Nd-Ce-Cu-O Thin Films
- Chemical Bondings around Intercalated Li Atoms in LiTiX_2 (X=S, Se, and Te)
- Local Geometry and Energetics of Hydrogen in Orthorhombic SrZrO_3
- Energetics of Hydrogen States in SrZrO_3
- Estimation of the Dissolved Structures and Condensation Reactivities of Mononuclear Molybdenum(VI) Species in Solution Using the UV-vis Absorption Spectra and Molecular Orbital Calculation DV-Xα
- Electronic Structure of Silica Glass under Strong Electric Field
- Sulfur-Bridged Cubane-Type Molybdenum-Cadmium Clusters with Diethyldithiophosphato or Nitrilotriacetato Ligands
- Structural Control of Epitaxially Grown Sputtered PbTiO_3 Thin Films
- Charge-Density Distribution around Fe-Fe Dimer in Copper
- Theoretical Solution Energy of Alkaline Earth Ions in Lanthanum Chromites
- Electronic Structure and Chemical Bondings of MgCr_O_4
- First-principles Calculation of L_3 X-ray Absorption Near Edge Structures (XANES) and Electron Energy Loss Near Edge Structures (ELNES) of GaN and InN Polymorphs
- Surface Morphology of Tl_2Ba_2Ca_2Cu_O_y Thin Films Prepared by Thallium Diffusion Process
- Substitution Effect of Rare Earth Elements for Y in Pb-Sr-Y-Ca-Cu-O with "1212" Structure
- Study on Annealing Treatment and Sr/Ca Ratio for Pb-Sr-Y-Ca-Cu-O Ceramics with "1212" Structure
- In Situ Preparation of Pb-Based Superconducting Thin Films at Low Temperature and Low Oxidizing Atmosphere
- Electronic Structures and Chemical Bonding of TiX_2 (X=S, Se, and Te)
- Electronic Structure and Chemical Bonding of TiS_2 by Cluster Calculation
- Electronic Mechanism of Ag-Cluster Formation in AgBr and AgI
- Electronic States and Chemical Bondings of an Interstitial Cation in Ionic Compounds AgCl and NaCl
- Electronic States of F-Centers in Alkali Halide Crystals
- Relativistic Change in Bond overlap population for the Study of Relativistic Effects on Bond Length of Diatomic Molecules
- Note on the Contribution of Relativity to Cu_2 Bonding
- Syntheses and Characterization of Cubane-Type Clusters with Molybdenum-Iron-Sulfur (Mo_3FeS_4) or Molybdenum-Nickel-Sulfur (Mo_3NiS_4) Cores. X-Ray Structures of [Mo_3FeS_4(H_2O)_](CH_3C_6H_4SO_3)_4・7H_2O and [Mo_3FeS_4(H_2O)(NH_3)_9]Cl_4, and Discret
- Theoretical Study of Si K_β X-ray Fluorescence Spectrum of SiO_2-Na_2O Binary Slag by DV-Xα Molecular Orbital Calculation
- Electronic States of Oxygen Ions of Molten Slags Used for Iron and Steel Making
- Discrete Variational Xα Cluster Calculations. : IV. Application to X-Ray Emission Study
- Inelastic Mean Free Path of Photoelectrons in Ag Determined by Total Reflection X-Ray Photoelectron Spectroscopy
- Vibrational Contribution on Nucleation Free Energy of Cu Precipitates in Fe-Cu System
- Discrete-Variational Hartree-Fock-Slater Calculations of B_N_ with Comparison to C_
- Growth Mechanism of BaTiO_3 Thin Film by Theoretical Calculation of Electronic Structure
- Optical Properties of Bi-Sr-Ca-Cu-O Thin Films
- Chemical Bondings around Intercalated Cr and Fe Atoms in TiS_2
- First Principles Study on Factors Determining Battery Voltages of LiMO_2 (M = Ti-Ni)
- Changes in Chemical Bondings by Li Deintercalation in LiMO_2 (M = Cr, V, Co and Ni)
- Theoretical Calculation for Multiplet Structure of Chromium Ion Pair in Ruby
- Calculation of Multiplet Structure of Ruby Using Explicit Effective Hamiltonian
- Analysis of Covalent Effects on the Multiplet Structure of Ruby Based on First-Principles Cluster Calculations
- 80 K Superconductivity in Bi-Sr-Cu-O Thin Films
- Magnetic Relaxation of High T_c Superconducting Thin Films
- Magnetic Aftereffects in High T_c Superconducting Thin Films
- Electron Spectroscopy of Nd_Ce_xCuO_(x=0,0.15,and0.23)Thin Films
- Diamagnetic Properties of Nd-Ce-Cu-O Superconducting Thin Films with Electron Carriers
- First-Principles Calculations of Co Impurities and Native Defects in ZnO
- Theoretical Formation Energy of Oxygen-Vacancies in Oxides
- Effect of Oxidation on Chemical Bonding around 3d Transition-Metal Impurities in ZnO
- Gaussian Quadrature Xα Method for Self-Consistent Hartree-Fock-Slater Equation.I.Application to the Total Energy Calculation of Diatomic Molecule
- Bonding Character of β-LiAl Crystal Containing Li Vacancy
- Discrete Variational X_α Cluster Calculations. III. Application to Transition Metal Complexes
- Molecular Orbitals for Chemisorption of Sulfur on Copper
- Cluster Model Investigation of Chemisorptions for Chalcogens on Nickel
- Discrete Variational X_a Cluster Calculations.II.Application to the Surface Electronic Structure of MgO
- The Electronic Structure of One-Dimensional (1-D), 2-D, and 3-D Silicon Clusters
- Cluster Calculations of the Electronic Structure of Interstitial Hydrogen in Titanium, Nickel and Palladium
- Hartree-Fock-Slater Model Cluster Calculations. : II. Hydrogen Chemisorption on Transition Metal Surfaces
- Hartree-Fock-Slater Model Cluster Calculations. : I. Transition Metal Surface Clusters
- Hartree-Fock-Slater Model Calculations for Pd Clusters
- Molecular Cluster Calculation for Hydrogen Chemisorption on Ni(100) Surface
- Free-Energy Calculation of Precipitate Nucleation in an Fe-Cu-Ni Alloy
- Simulations on Multilayer Relaxations of Aluminum Surfaces
- Structure and Superconducting Properties of Bi-Sr-Ca-Cu-O Thin Films Annealed at Low Temperatures
- First Principles Calculation of Fe L_-edge X-ray Absorption Near Edge Structures of Iron Oxides
- First-principles Calculation of Transition-metal L_-edge Electron-energy-loss Near-edge structures Based on Direct Diagonalization of the Many-electron Hamiltonian
- Cluster Model for Electronic Structure and Bonding Mechanism of Interstitial Hydrogen in Iron Series Transition Metals
- Cluster Theory of Atomic and Molecular Chemisorptions on Ni and Cu
- Discrete Variational X_a Cluster Calculations of Electronic Structure for Uranium Compounds
- Discrete Variational X_α Cluster Calculations.I. Application to Metal Clusters
- Molecular Cluster Approach to Electronic State and Chemical Bonding in Metallic Materials
- Electronic State and Covalency in NaCl-Type Alkali Halide Crystals
- The electronic structures of linear dicyano complexes.
- Surface Sensitive X-ray Absorption Fine Structure Measurement Using Sample Current Induced by Totally Reflected X-rays.
- Electronic States of Zn in GaAs and a Consideration on Its Anomalous Diffusion Phenomena