H. Adachi

发表

Molecular Cluster Approach to the Electronic Structure and the Bonding Mechanism for Impurity Carbon Atom in Titanium Metal and for Titanium Monocarbide

T. Hori, H. Adachi, S. Imoto, 1977 .

Band Structure and Chemical Bond in ThX Compounds

T. Hori, H. Adachi, S. Imoto, 1975 .

Energy Band Structure of Uranium Compounds with NaCI Type Structure

H. Adachi, S. Imoto, 1969 .

Calculations of molecular ionization energies using a self‐consistent‐charge Hartree–Fock–Slater method

H. Adachi, D. Ellis, A. Rosen, 1976 .

Hartree-Fock-Slater Model Calculations for Pd Clusters

H. Adachi, S. Imoto, T. Tanabe, 1977 .

Chemical bondings around intercalated Cr and Fe atoms in TiS2

Y. Koyama, I. Tanaka, Jiang Li, 2000 .

Electronic Structure and Chemical Bonding of TiS2 by Cluster Calculation

I. Tanaka, H. Adachi, Yangsoo Kim, 1998 .

Electronic structures and electrode potentials of layered lithium insertion electrodes by the first principles calculation

Y. Koyama, I. Tanaka, H. Adachi, 2003 .

Solid-State Chemistry and Electrochemistry of LiCo1 / 3Ni1 / 3Mn1 / 3 O 2 for Advanced Lithium-Ion Batteries I. First-Principles Calculation on the Crystal and Electronic Structures

Tsutomu Ohzuku, Yukinori Koyama, Isao Tanaka, 2004 .

Mechanism of electrical conductivity of transparent InGaZnO4

Masataka Mizuno, Isao Tanaka, I. Tanaka, 2000 .

First-principles calculations of anion vacancies in oxides and nitrides

I. Tanaka, H. Adachi, F. Oba, 2004 .

Total energy versus one-electron energy differences in the excited-state density functional theory

Á. Nagy, H. Adachi, 2000 .

A method of incorporating the composition into the calculation of the O Ka X-ray emission spectrum of the glassy state SiO2Na2O binary slag with the DV-Xα molecular orbital calculation

H. Adachi, M. Morinaga, M. Morishita, 2000 .

Theoretical study of Si Kβ X-ray fluorescence spectrum of SiO2-Na2O binary slag by DV-Xα molecular orbital calculation

H. Adachi, M. Morinaga, M. Morishita, 1997 .

Electronic States of Oxygen Ions of Molten Slags Used for Iron and Steel Making

H. Adachi, M. Morinaga, M. Morishita, 1996 .

Identification of ultradilute dopants in ceramics

I. Tanaka, T. Mizoguchi, W. Ching, 2003, Nature materials.

Chemical effects on the intensity of Ti Kη (radiative Auger satellite) X-ray fluorescence spectra

H. Adachi, M. Yamaguchi, S. Yabuki, 1994 .

Alloying effect on the electronic structure of aluminium

H. Adachi, S. Nasu, N. Yukawa, 1991 .

Theory of Electronic Structure of the Polar ZnO Surface by the Cluster Models

M. Tsukada, H. Adachi, E. Miyazaki, 1981 .

First-principles analysis for the multiplet structures of tetrahedrally and octahedrally oxo-coordinated 3d2 and 3d3 transition metals

H. Adachi, T. Ishii, K. Ogasawara, 2002 .

Hardness of cubic silicon nitride

I. Tanaka, H. Adachi, Takahisa Yamamoto, 2002 .

First Principles Calculation of Fe L2;3-edge X-ray Absorption Near Edge Structures of Iron Oxides

I. Tanaka, H. Adachi, H. Ikeno, 2004 .

Relativistic cluster calculation of ligand-field multiplet effects on cation L-2,L-3 x-ray-absorption edges of SrTiO3, NiO, and CaF2

Y. Koyama, I. Tanaka, T. Iwata, 2001 .

Theoretical Investigation of Al K-edge X-ray Absorption Spectra of Al, AlN and Al2O3

I. Tanaka, T. Mizoguchi, H. Adachi, 2004 .

Geometry and electronic structure of [0001]/(1 230) Σ = 7 symmetric tilt boundary in ZnO

I. Tanaka, S. Nishitani, H. Adachi, 2000 .

Electronic states associated with bond disorder at ZnO grain boundaries

I. Tanaka, H. Adachi, F. Oba, 2003 .

Atomic and Electronic Structure of Symmetric Tilt Boundaries in ZnO

I. Tanaka, M. Kohyama, S. Nishitani, 2000 .

Electronic structures of 3d transition metal (Ti–Cu) oxides probed by a core hole

H. Adachi, J. Kawai, T. Mukoyama, 1999 .

Theory of the Surface Electronic Structure and Defect States of Rutile by the DV–Xα Cluster Calculation

M. Tsukada, H. Adachi, C. Satoko, 1979 .

First principles calculations of formation energies and electronic structures of defects in oxygen-deficient LiMn2O4

Y. Koyama, I. Tanaka, H. Adachi, 2003 .

Cubane-Type Molybdenum-Zinc or -Cadmium Mixed-Metal Clusters with Diethyldithiophosphate or Nitrilotriacetate Ligands

H. Adachi, M. Yamasaki, T. Shibahara, 2002 .

The Electronic Structures of Linear Dicyano Complexes

H. Adachi, M. Sano, H. Yamatera, 1982 .

Variation of electronic state of AgI-based superionic conductors with movement of Ag ions

T. Minami, H. Adachi, M. Tatsumisago, 2000 .

First-principles Calculation of L3 X-ray Absorption Near Edge Structures (XANES) and Electron Energy Loss Near Edge Structures (ELNES) of GaN and InN Polymorphs

I. Tanaka, T. Mizoguchi, H. Adachi, 2004 .

Electronic structure of 3d transition elements in β-Si3N4

I. Tanaka, H. Adachi, 1995 .

Calculation of the Electronic Structure of sp Elements in β‐Si3N4 with Correlation to Solubility and Solution Effects

I. Tanaka, K. Niihara, H. Adachi, 1993 .

Electronic structure behind the mechanical properties of β-sialons

I. Tanaka, K. Niihara, Y. Miyamoto, 1992 .

Effective Doping in Cubic Si3N4 and Ge3N4: A First‐Principles Study

I. Tanaka, H. Adachi, F. Oba, 2004 .

Theoretical analysis of X-ray and electron spectra by DV-Xα method

H. Adachi, 2000 .

Discrete-variational Dirac–Slater calculation on valence band XPS for UC

H. Nakamatsu, H. Adachi, J. Onoe, 1999 .

Theoretical Calculation of Molecular Photoelectron Spectrum by the First-Principles DV-Xα Molecular Orbital Method

H. Adachi, 1998 .

Valence electronic structure of uranyl nitrate UO2(NO3)2·2H2O

K. Takeuchi, H. Nakamatsu, H. Adachi, 1997 .

Core-valence (KLV, KVV, LVV) auger and high resolution valence band XPS spectra of aluminium: a comparison with the results of cluster MO calculations

J. Pálinkás, H. Adachi, D. Varga, 1995 .

Theoretical study of the valence photoelectron spectrum of UF6

K. Takeuchi, H. Nakamatsu, H. Adachi, 1994 .

Relativistic calculations of photoelectron and conversion-electron spectra for UF4

H. Nakamatsu, H. Adachi, T. Mukoyama, 1993 .

Discrete-variational Dirac-Slater calculation on XPS for the valence levels of UF6

K. Takeuchi, H. Nakamatsu, H. Adachi, 1992 .

DV-Xα calculation on XPS for SF6 valence levels

H. Nakamatsu, H. Adachi, T. Mukoyama, 1991 .

Electronic structures of the LaBO3 (B = Co, Fe, Al) perovskite oxides related to their catalysis

H. Adachi, I. Kojima, I. Yasumori, 1983 .

Electronic Structure of Molybdenum Dioxide Calculated by the Xα Method

H. Adachi, Teikichi A. Sasaki, T. Soga, 1982 .

Electronic structure of the valence band for perovskite-type titanium double oxides studied by XPS and DV-Xα cluster calculations

H. Nakamatsu, H. Adachi, S. Ikeda, 1981 .

Calculations of photoelectron spectra for tetrahedral oxyanions by the Hartree—Fock—Slater model

H. Adachi, Teikichi A. Sasaki, 1980 .

Molecular Cluster Theory for Electronic Structure of Iron Martensite

H. Adachi, S. Imoto, 1977 .

Simulations on Multilayer Relaxations of Aluminum Surfaces

S. Nishitani, S. Ohgushi, M. Aoki, 1999 .

The origin of n-type conductivity in undoped In2O3

H. Adachi, Y. Hayafuji, K. Yamashita, 2005 .

DV-Xα Method and Molecular Structure

H. Adachi, 2006 .

The lowest metal-to-bipyridine charge-transfer excited state of [Cr(2,2′-bipyridine)(CO)4]

H. Adachi, Y. Kaizu, Hiroshi Kobayashi, 1988 .

The 5d←4f excited states of [ce(Oh2)9]3+ ii. a discrete variational xα molecular-orbital approach

N. Hamada, H. Adachi, Y. Kaizu, 1987 .

Discrete Variational Xα Cluster Calculations. II. Application to the Surface Electronic Structure of MgO

M. Tsukada, H. Adachi, C. Satoko, 1978 .

Bonding Character of β-LiAl Crystal Containing Li Vacancy

H. Nakamatsu, S. Kawai, Y. Azuma, 1985 .

DV-Xα Molecular Orbital Method for X-ray Absorption Near Edge Structure–Application to N2 and CrO42-

H. Nakamatsu, H. Adachi, T. Mukoyama, 1993 .

Electronic Structures of Ln3+α‐SiAIONs with Correlations to Solubility and Solution Effects

I. Tanaka, Tetsuo Yamada, H. Adachi, 2005 .

Theoretical Prediction of Post‐Spinel Phases of Silicon Nitride

I. Tanaka, H. Adachi, F. Oba, 2004 .

First-principles analysis for the optical absorption spectra of metal ions in solids

H. Adachi, G. Huber, T. Ishii, 2004 .

Elastic constants and chemical bonding of LaNi5 and LaNi5H7 by first principles calculations

I. Tanaka, H. Adachi, H. Inui, 2003 .

Theoretical calculation for the multiplet structures of tetrahedrally coordinated Cr4+ in silicate crystals

K. Fujimura, I. Tanaka, H. Adachi, 2001 .

The electronic structure of rare-earth oxides in the creation of the core hole

A. Vlaicu, H. Adachi, J. Kawai, 2000 .

First-principle calculation of peak energies and intensities in optical absorption spectrum of Cr 4+ :Ca 2 GeO 4

I. Tanaka, H. Adachi, T. Ishii, 2000 .

First-principles calculation for multiplet structure of emerald

I. Tanaka, H. Adachi, T. Ishii, 2000 .

Separation of the effects of charge transfer, covalency and electron correlations on the multiplet structure of ruby based on first-principles cluster calculations

I. Tanaka, H. Adachi, T. Ishii, 2000 .

Valence Band Structure of ZnO (1010) Surface by Cluster Calculation

I. Tanaka, H. Adachi, F. Oba, 1999 .

First principles calculation of chemical shifts in ELNES/NEXAFS of titanium oxides

I. Tanaka, H. Adachi, K. Kaneko, 1999 .

Madelung energy of metal–metalloid compounds

I. Tanaka, S. Nishitani, H. Adachi, 1999 .

Importance of metal-metal bondings at the interface of MgO and 3d-transition metals

I. Tanaka, H. Adachi, M. Mizuno, 1998 .

Electronic State Calculation of Transition Metal Cluster

H. Adachi, 1998 .

Electronic Structures of Metal Carbides TiC and UC: Similarity and Dissimilarity

H. Nakamatsu, H. Adachi, J. Onoe, 1998 .

Effect of solute atoms on the chemical bonding of Fe3C (cementite)

I. Tanaka, H. Adachi, M. Mizuno, 1997 .

Electronic states and chemical bondings of an interstitial cation in ionic compounds AgCl and NaCl

I. Tanaka, H. Adachi, K. Matsunaga, 1996 .

Relativistic Change in Bond Overlap Population for the Study of Relativistic Effects on Bond Length of Diatomic Molecules

K. Takeuchi, H. Nakamatsu, H. Adachi, 1996 .

Chemical bonding of transition metal disilicides

I. Tanaka, H. Adachi, Naoki Takao, 1996 .

Correlation between the electronic structure and hydrogen absorption characteristics in rare earth intermetallic compound hydrides

I. Tanaka, H. Adachi, G. Adachi, 1995 .

Note on the Contribution of Relativity to Cu2 Bonding

K. Takeuchi, H. Nakamatsu, H. Adachi, 1994 .

Atomic-number dependence of relativistic effects on chemical bonding using the non-relativistic and relativistic discrete-variational Xα methods

K. Takeuchi, H. Nakamatsu, H. Adachi, 1994 .

Relativistic effects on the electronic structure and chemical bonding of UF6

K. Takeuchi, H. Nakamatsu, H. Adachi, 1993 .

Electronic structure calculations for two-dimensional transition metal oxides

H. Adachi, K. Fukushima, 1993 .

Material design of silicon nitride ceramics by electronic calculations

I. Tanaka, K. Niihara, H. Adachi, 1993 .

Theoretical study on the UV excited states of UF6 using the discrete-variational Dirac-Slater calculation method

K. Takeuchi, H. Nakamatsu, H. Adachi, 1992 .

Electronic states of the cathodes of titanium-based alloys in aqueous corrosion

Yoshio Ashida, H. Adachi, M. Morinaga, 1991 .

Electronic States of Metal (Ti,V,Cr) Oxides

H. Adachi, K. Fukushima, 1991 .

Correlation between Bond Order Based on Electron Theory and Active Corrosion Rate for Ti-based Alloys Attacked in HCl Solution

Yoshio Ashida, H. Adachi, M. Morinaga, 1990 .

Molecular orbital study for the electronic state of a substitutional helium atom and helium clusters in nickel

H. Adachi, S. Imoto, K. Fukushima, 1988 .

Electronic structure of condensed helium clusters

H. Adachi, S. Imoto, K. Fukushima, 1986 .

Hartree-Fock-Slater Model Cluster Calculations. II. Hydrogen Chemisorption on Transition Metal Surfaces

H. Adachi, S. Imoto, T. Tanabe, 1978 .

Discrete Variational X α Cluster Calculations. III. Application to Transition Metal Complexes

M. Tsukada, H. Adachi, S. Sugano, 1979 .

Calculation of the electronic structure of the polar ZnO(0001) surface by the DV-Xα cluster method

T. Morimoto, H. Adachi, Rika. Kuwabara, 1988 .

Electronic effect on the ductility of alloyed TiAl compound

H. Adachi, N. Yukawa, Jun-ichi Saito, 1990 .

Local Geometry and Energetics of Hydrogen in Orthorhombic SrZrO3

I. Tanaka, H. Adachi, Yi Liu, 2005 .

Core-hole effects on theoretical electron-energy-loss near-edge structure and near edge x-ray absorption fine structure of MgO

I. Tanaka, T. Mizoguchi, H. Adachi, 2000 .

X-Ray Emission in Molecules

H. Adachi, K. Taniguchi, T. Mukoyama, 1998 .

The Discrete Variational Calculations of the Overlap Integrals and the Dipole Matrix Elements

H. Adachi, K. Taniguchi, T. Mukoyama, 1984 .

Electronic state of interstitial atoms (C, N, O) in FCC Fe

T. Mura, H. Adachi, M. Morinaga, 1988 .

Calculation of Anisotropic C K X–ray Emission Spectra of Carbons and Related Materials

H. Adachi, Sujin Kim, J. Kawai, 1999 .

The DV-Xα MO Study of the Electronic Structures of [M(CN)6]3− (M=Cr, Mn, Fe, and Co) and [Fe(CN)6]4−

H. Adachi, M. Sano, H. Yamatera, 1981 .

Calculations of XPS spectra for oxyanions and related compounds by the discrete variational‐Xα method

H. Adachi, Teikichi A. Sasaki, 1980 .

Molecular cluster theory of CO chemisorption on a nickel /100/ surface

E. Baerends, H. Adachi, D. Ellis, 1977 .

Dirac-Slater model calculations of ionization energies for caesium halide molecules

H. Adachi, D. Ellis, A. Rosén, 1977 .

Surface Electronic Structure of SrTiO 3 Studied by the DV-Xα Cluster Method

M. Tsukada, H. Adachi, C. Satoko, 1980 .

KβKα x-ray intensity ratios in 3d elements by photoionization and electron-capture decay

H. Adachi, K. Taniguchi, T. Mukoyama, 2000 .

Analysis of Core-Hole Effect in Cation L2,3-Edge of MgO, α-Al2O3 and SiO2 Based on DV-Xα Cluster Calculations

I. Tanaka, H. Adachi, K. Ogasawara, 1998 .

Electronic State and Covalency in NaCl-Type Alkali Halide Crystals

H. Adachi, 1993 .

Theoretical x‐ray absorption spectra of SF6 and H2S

H. Nakamatsu, H. Adachi, T. Mukoyama, 1991 .

Calculation of electronic structure and photoabsorption spectra of monosilane molecules SiH4, SiF4, and SiCl4

T. Fujii, H. Adachi, H. Ishikawa, 1991 .

The charge transfer collision between a low energy ion and a solid surface

H. Adachi, M. Kimura, K. Fujima, 1988 .

Theory of the d Electrons Alloy Design

H. Adachi, M. Morinaga, N. Yukawa, 1985 .

Electronic structure and phase stability of ZrO2

M. Tsukada, H. Adachi, M. Morinaga, 1983 .

Discrete Variational Xα Cluster Calculations. IV. Application to X-Ray Emission Study

H. Adachi, K. Taniguchi, 1980 .

Calculations of ionization and excitation energies for SiH3 X (X = F, Cl, Br and I) using the discrete variational Xα method

H. Adachi, 1979 .

Discrete Variational Xα Calculations of UAl 4 , NpAl 4 and PuAl 4 Clusters

H. Adachi, S. Imoto, Shoji Shiokawa, 1978 .

Cluster Calculations of the Electronic Structure of Interstitial Hydrogen in Titanium, Nickel and Palladium

M. Tsukada, H. Adachi, S. Imoto, 1978 .

Approximate self-consistent-field Hartree—Fock—Slater calculations of the ionization energies for Ni(CO)4

H. Adachi, S. Imoto, Bong-Il Kim, 1977 .

Syntheses and Characterization of Cubane-Type Clusters with Molybdenum–Iron–Sulfur (Mo3FeS4) or Molybdenum–Nickel–Sulfur (Mo3NiS4) Cores. X-Ray Structures of [Mo3FeS4(H2O)10](CH3C6H4SO3)4·7H2O and [Mo3FeS4(H2O)(NH3)9]Cl4, and Discrete Variational (DV)-Xα Calculation of the Electronic Structures of [

H. Adachi, H. Akashi, T. Shibahara, 1995 .

X-Ray Absorption Near Edge Structure Study and DV-Xα Calculations on Some Square-planar Copper(II) Complexes with Macrocyclic Ligands

H. Adachi, H. Wakita, Y. Kato, 1998 .

The Electronic Structures of Bis(cis-1,2-dicyano-1,2-ethenedithiolato)nickel Complexes

H. Adachi, M. Sano, H. Yamatera, 1981 .

Variation of K?/K? x-ray intensity ratios in 3d elements

H. Adachi, K. Taniguchi, T. Mukoyama, 2000 .

Cluster Model for Electronic Structure and Bonding Mechanism of Interstitial Hydrogen in Iron Series Transition Metals

H. Adachi, S. Imoto, 1979 .

Estimation of Dissolved Structures of Mono- and Dinuclear Chromate Species in Solution Using UV-vis Absorption Spectra and Molecular Orbital Calculation DV-Xα

H. Adachi, S. Ikeda, T. Ozeki, 1994 .

Discrete Variational (DV)-Xα Calculations of Incomplete Cubane-Type Molybdenum Clusters [Mo3X4(H2O)9]4+ (X= O,S)1

H. Adachi, T. Shibahara, G. Sakane, 1995 .

Sulfur-Bridged Cubane-Type Molybdenum-Cadmium Clusters with Diethyldithiophosphato or Nitrilotriacetato Ligands

H. Adachi, M. Yamasaki, T. Shibahara, 1999 .

Discrete variational Xα studies of core excitation, photoemission, and inverse photoemission for CO and NiCO clusters

H. Adachi, E. Miyazaki, I. Kojima, 1986 .

Atomic structures and energetics of LaNi5-H solid solution and hydrides

I. Tanaka, H. Adachi, H. Inui, 2001 .

Alloying Effect on the Electronic Structure of Ni3Al ( γ

H. Adachi, M. Morinaga, Morinaga Masahiko, 1984 .

Positron Annihilation Study of Formation of Mg Vacancy in MgO

I. Tanaka, T. Mizoguchi, H. Adachi, 2004 .

Cluster model calculations of oxygen chemisorption on (001) surfaces of bcc V, Cr and Fe

M. Tsukada, H. Adachi, M. Onchi, 1982 .

Depth-Selective Chemical State Analysis of Fine Particles Using X-ray Absorption

H. Adachi, Y. Gohshi, K. Furuya, 1995 .

Depth selective X-ray absorption fine structure spectrometry

H. Adachi, Y. Gohshi, S. Hayakawa, 1994 .

Molecular cluster theory for chemisorption of first row atoms on nickel /100/ surfaces

H. Adachi, D. Ellis, F. W. Averill, 1976 .

Molecular orbital calculations of octahedral molybdenum cluster complexes with the DV-X{alpha} method

H. Adachi, Taro Saito, H. Imoto, 1995 .

Discrete Variational Xα Cluster Calculations. I. Application to Metal Clusters

H. Adachi, Chikatoshi Satoko, Hirohiko Adachi, 1978 .

Molecular Cluster Study of the Approach of CO to a Ni (100) Surface

H. Adachi, F. W. Averill, D. Pellis, 1974 .

Electronic states and chemical bonding in phosphate glasses

T. Minami, H. Adachi, Y. Kowada, 1993 .

Magnetic susceptibility of UP-ThP solid solutions

H. Adachi, S. Imoto, T. Kuki, 1973 .

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

H. Adachi, S. Ikeda, T. Ozeki, 1996 .

High Temperature Thermistor Material Design of Spinel Type MgCr2O4 by First Principles Calculations and Experiments

H. Moriwake, I. Tanaka, H. Adachi, 2004 .

Electronic states of binary tellurite glasses

T. Minami, H. Adachi, M. Tatsumisago, 1996 .

Electronic states of Ag ions in AgI-based superionic conducting glasses

T. Minami, H. Adachi, M. Tatsumisago, 1998 .

First Principles Study of Core-hole Effect on Fluorine K-edge X-ray Absorption Spectra of MgF2 and ZnF2

I. Tanaka, E. Gullikson, T. Mizoguchi, 2004 .

n- and p-type dopants for cubic silicon nitride

I. Tanaka, H. Adachi, F. Oba, 2001 .

Atomic structures and bondings of beta- and spinel-Si6-zAlzOzN8-z by first-principles calculations

I. Tanaka, H. Adachi, K. Tatsumi, 2002 .

Local Chemical Bonding around Rare‐Earth Ions in α‐ and ß‐Si3N4

I. Tanaka, Tetsuo Yamada, S. Goto, 2005 .

Atomic-level modeling and computation of intergranular glassy film in high-purity Si3N4 ceramics

I. Tanaka, H. Adachi, M. Yoshiya, 2012 .

Theoretical study on the structure and energetics of intergranular glassy film in Si3N4-SiO2 ceramics

R. M. Cannon, I. Tanaka, H. Adachi, 2010 .

Interpretation of Si-L2,3 Edge Electron Energy Loss Near Edge Structures (ELNES) from Intergranular Glassy Film of Si3N4 Ceramics

I. Tanaka, H. Adachi, M. Yoshiya, 2004 .

Theoretical Study on the Chemistry of Intergranular Glassy Film in Si3N4–SiO2 Ceramics

I. Tanaka, H. Adachi, K. Tatsumi, 2004 .

Local Chemical Bonding at Grain Boundary of Si 3 N 4 Ceramics

I. Tanaka, Tetsuo Yamada, H. Adachi, 1998 .

Calculation of Grain‐Boundary Bonding in Rare‐Earth‐Doped β‐Si3N4

I. Tanaka, Tetsuo Yamada, S. Goto, 2005 .

Theoretical prediction of ELNES/XANES and chemical bondings of AlN polytypes.

I. Tanaka, T. Mizoguchi, W. Ching, 2003, Micron.

Local chemical bonding around rare-earth ions in {alpha}- and {beta}-Si{sub 3}N{sub 4}

I. Tanaka, Tetsuo Yamada, S. Goto, 1997 .

First-principles molecular orbital calculation of electron energy-loss near-edge structures of -quartz

I. Tanaka, H. Adachi, 1996 .

CHEMICAL BONDING IN TITANIUM-METALLOID COMPOUNDS

I. Tanaka, H. Adachi, M. Mizuno, 1999 .

Electronic structure of adsorbed OH− on the defect site of TiO2 surface

M. Tsukada, H. Adachi, T. Kawai, 1979 .

Structure and Bond Nature of the UF(5) Monomer.

K. Takeuchi, H. Nakamatsu, H. Adachi, 1997, Inorganic chemistry.

Alloying effect on the electronic structure of BCC Fe

Masahiko Morinaga, H. Adachi, M. Morinaga, 1985 .

Solid solubilities in nickel-based f.c.c. alloys

H. Adachi, H. Ezaki, N. Yukawa, 1985 .

Theory of electronic structure of oxide surfaces

M. Tsukada, H. Adachi, C. Satoko, 1983 .

Fine structure analysis of Si KL2,3V Auger spectra of Si, SiC and SiO2

I. Tanaka, H. Adachi, Tomoyuki Yamamoto, 2004 .

The Electronic Structure of Silicon Clusters

H. Adachi, S. Imanaga, Y. Hayafuji, 1998 .

The Electronic Structure of One-Dimensional (1-D), 2-D, and 3-D Silicon Clusters

H. Adachi, S. Imanaga, Y. Hayafuji, 1993 .

Surface science lettersTheoretical study of oxygen chemisorption on zinc surface by cluster models

M. Tsukada, H. Adachi, E. Miyazaki, 1983 .

Cluster Theory of Atomic and Molecular Chemisorptions on Ni and Cu

H. Adachi, 1979 .

Cluster Model Investigation of Chemisorptions for Chalcogens on Nickel

H. Adachi, 1979 .

Surface Electronic Structure of TiO2 by the DV-Xα Cluster Calculation

M. Tsukada, H. Adachi, C. Satoko, 1978 .

New Phacomp and its Applications to Alloy Design

Masahiko Morinaga, H. Adachi, M. Morinaga, 1984 .

Discrete Variational Xα Cluster Calculations of Electronic Structure for Uranium Compounds

H. Adachi, S. Imoto, Syoji Shiokawa, 1980 .

Formation energy of Cr/Al vacancies in spinel MgCr2O4 and MgAl2O4 by first-principles calculations

Y. Koyama, H. Moriwake, I. Tanaka, 2002 .

Molecular cluster approach to electronic state and chemical bonding in metallic materials

H. Adachi, 1997 .

Electronic stability effect on local strain in martensite

T. Mura, H. Adachi, M. Morinaga, 1987 .

Hartree-Fock-Slater Model Cluster Calculations. I. Transition Metal Surface Clusters

H. Adachi, S. Imoto, T. Tanabe, 1977 .

Molecular Orbitals for Chemisorption of Sulfur on Copper

H. Adachi, 1980 .

Solid solubilities in transition-metal-based f.c.c. alloys

Masahiko Morinaga, H. Adachi, Hirohiko Adachi, 1985 .

Solid solubilities of molybdenum and tungsten in F.C.C. transition metal alloys

H. Adachi, M. Morinaga, H. Ezaki, 1992 .

Electronic Structure and Phase Stability of Titanium Alloys

H. Adachi, N. Yukawa, M. Morinaga, 1986 .

Vibrational contribution on nucleation free energy of Cu precipitates in Fe-Cu system

Atsuto Seko, Koretaka Yuge, S. Nishitani, 2004 .

Free-Energy Calculation of Precipitate Nucleation in an Fe-Cu-Ni Alloy

Atsuto Seko, I. Tanaka, S. Nishitani, 2004 .

First-principles calculation on free energy of precipitate nucleation

Atsuto Seko, I. Tanaka, S. Nishitani, 2004 .

Chemical Bondings around Intercalated Li Atoms in LiTiX2 (X=S, Se, and Te)

Y. Koyama, I. Tanaka, H. Adachi, 1998 .

Electronic Structures and Chemical Bonding of TiX2 (X=S, Se, and Te)

I. Tanaka, H. Adachi, Yangsoo Kim, 1998 .

Crystal and electronic structures of superstructural Li1−x[Co1/3Ni1/3Mn1/3]O2 (0≤x≤1)

Tsutomu Ohzuku, Yukinori Koyama, Isao Tanaka, 2003 .

MOLECULAR ORBITAL CALCULATION ON THE INTERSTITIAL CARBON IN STEEL MARTENSITE

H. Adachi, S. Nasu, F. Fujita, 1982 .

Surface science lettersChemical bonding of a Au atom adsorption on NaCl(100) surfaces

T. Osaka, H. Adachi, K. Fujima, 1984 .

Chemical bonding of a Au atom adsorption on NaCl(100) surfaces

T. Osaka, H. Adachi, K. Fujima, 1984 .

Local geometries and energetics of hydrogen in acceptor-doped SrZrO3

I. Tanaka, H. Adachi, M. Yoshino, 2003 .

Energetics of Hydrogen States in SrZrO3

I. Tanaka, H. Adachi, M. Yoshino, 2002 .

Hartree-Fock-Slater Method for Materials Science

H. Adachi, J. Kawai, T. Mukoyama, 2006 .

Theoretical formation energy of oxygen-vacancies in oxides : Special issue on grain boundaries, interfaces, defects and localized quantum structures in ceramics

I. Tanaka, H. Adachi, F. Oba, 2002 .

CLUSTER CALCULATION OF OXYGEN K-EDGE ELECTRON-ENERGY-LOSS NEAR-EDGE STRUCTURE OF NIO

I. Tanaka, H. Adachi, K. Ogasawara, 1998 .

Electronic states of the CuOx(x=4, 5, 6) model clusters: I. Effect of hole density and Cu-O bond lengths

H. Adachi, M. Kawai, R. Sekine, 1989 .

ELECTRONIC STRUCTURE OF INDIUM OXIDE USING CLUSTER CALCULATIONS

I. Tanaka, H. Adachi, M. Mizuno, 1997 .

Depth selective chemical state analysis of fly ash with simultaneous XANES measurement of total electron and X-ray fluorescence yields

H. Adachi, Y. Gohshi, K. Furuya, 1995 .

Surface Sensitive X-ray Absorption Fine Structure Measurement Using Sample Current Induced by Totally Reflected X-rays

H. Adachi, M. Takami, Y. Gohshi, 1993 .

DV-Xα Calculation on resonances in X-ray absorption spectra of SF6

H. Nakamatsu, H. Adachi, T. Mukoyama, 1990 .

Electronic states of transition metal ions in silicate glasses

T. Minami, H. Adachi, M. Tatsumisago, 1995 .

Application of the DV-Xα cluster method to calculations of the electronic structure of silicate and phosphate glasses

T. Minami, H. Adachi, M. Tatsumisago, 1992 .

Electronic structure of non-stoichiometric NiAl

H. Adachi, N. Yukawa, M. Morinaga, 1985 .

Electronic States of SiO2-MxOy(MxOy=P2O5, TiO2, ZrO2) Glasses

T. Minami, H. Adachi, Y. Kowada, 1993 .

Local spin moment of LaCoO3 probed by a core hole

M. Takano, H. Adachi, J. Kawai, 1999 .

Spin flip of 3d electrons due to core electron photoionization

H. Adachi, J. Kawai, C. Suzuki, 1996 .

ELECTRONIC STRUCTURE OF NON‐STOICHIOMETRIC NICKEL‐ALUMINUM COMPOUND (ALNI)

H. Adachi, M. Morinaga, N. Yukawa, 1985 .

M-Shell X-Ray Emission Rates for Rare Earth Elements

H. Adachi, T. Mukoyama, 1984 .

Calculation of multiplet structures of Cr3+ and V3+ in alpha-Al2O3 based on a hybrid method of density-functional theory and the configuration interaction

I. Tanaka, H. Adachi, T. Ishii, 2000 .

Profile changes of X-ray spectra and their interpretation using the molecular-orbital method (Review)

I. Tanaka, H. Adachi, J. Kawai, 1995 .

CHEMICAL EFFECTS ON K-X-RAY SPECTRUM

H. Adachi, K. Taniguchi, Takeshi Mukoyama, 1987 .

Inelastic Mean Free Path of Photoelectrons in Ag Determined by Total Reflection X-Ray Photoelectron Spectroscopy

H. Adachi, Y. Gohshi, S. Hayakawa, 1997 .

Structural change of rapidly quenched binary tellurite glasses with composition and temperature

T. Minami, H. Adachi, M. Tatsumisago, 1994 .

Energetics of native defects in ZnO

Seiji Isotani, Isao Tanaka, Shigeto R. Nishitani, 2001 .

A cluster model calculation of electronic structure in FeB amorphous alloy

F. Itoh, Kenji Suzuki, H. Adachi, 1990 .

New Fluoride Cathodes for Rechargeable Lithium Batteries

Y. Koyama, I. Tanaka, H. Adachi, 2000 .

Systematic research on insertion materials based on superlattice models in a phase triangle of LiCoO2-LiNiO2-LiMnO2. I. First-principles calculation on electronic and crystal structures, phase stability and new LiNi1/2Mn1/2O2 material

Y. Koyama, I. Tanaka, T. Ohzuku, 2004 .

Evaluation of Migration Energy of Lithium Ions in Chalcogenides and Halides by First Principles Calculation

Y. Koyama, I. Tanaka, Yasuhiro Yamada, 2002 .

Grain boundary energies of Al simulated by environment-dependent embedded atom method

Shigeto R. Nishitani, S. Nishitani, S. Ohgushi, 2001 .

First-principle calculation for absorption spectrum of Cr4+:Ca2MgSi2O7 (åkermanite)

I. Tanaka, Takugo Ishii, K. Fujimura, 2001, Laser Optics.

Calculation of electron energy-loss near edge structures using a model cluster of MgO

I. Tanaka, H. Adachi, J. Kawai, 1995 .

Magnetic Susceptibility and Electrical Resistivity of Uranium Phosphides and UP-ThP Solid Solutions

H. Adachi, S. Imoto, 1969 .

High Temperature Raman Spectra of Li2O-P2O5 Melts with Large Amounts of Li2O

T. Minami, H. Adachi, M. Tatsumisago, 1990 .

Counter Comment to Dr. Kuznietz for his Comments

H. Adachi, S. Imoto, 1971 .

Magnetic Properties of Uranium Compounds with NaCl Type Structure

H. Adachi, S. Imoto, 1970 .

PREPARATION OF URANIUM AND THORIUM PHOSPHIDES.

H. Adachi, S. Imoto, 1967 .

First principles calculation of ELNES by LCAO methods

I. Tanaka, T. Mizoguchi, W. Ching, 2002 .

Electronic Mechanism of Ag-Cluster Formation in AgBr and AgI

Isao Tanaka, Katsuyuki Matsunaga, I. Tanaka, 1998 .

Calculation of electronic states in perovskite-type oxide by the DV-Xα method: the effects of oxygen defects

H. Adachi, F. Munakata, M. Yamanaka, 1995 .

Electronic structure of magnesium containing various alloying elements

H. Adachi, S. Kamado, N. Yukawa, 1988 .

DV-Xα Calculation on Energy Levels for SF₆

H. Nakamatsu, H. Adachi, T. Mukoyama, 1991 .

Calculation on Energy Levels for SF₆

H. Adachi, T. Mukoyama, 2018 .

Energetics and electronic structure of point defects associated with oxygen excess at a tilt boundary of ZnO

I. Tanaka, H. Adachi, F. Oba, 2000 .

First-Principles Calculations of Co Impurities and Native Defects in ZnO

I. Tanaka, Y. Ikuhara, H. Adachi, 2002 .

Theoretical calculation of excited-state absorption in Cr4+:Mg2SiO4 (forsterite)

H. Adachi, T. Ishii, K. Ogasawara, 2001 .

Theoretical calculation of oxygen K electron-energy-loss near-edge structures of Si-doped MgO

I. Tanaka, T. Mizoguchi, H. Adachi, 1999 .

Analysis of Covalent Effects on the Multiplet Structure of Ruby Based on First-Principles Cluster Calculations

I. Tanaka, H. Adachi, T. Ishii, 1998 .

Charge Density Distribution around Fe-Vacancy Pair in Aluminium

H. Adachi, S. Nasu, F. Fujita, 1987 .

Title Molecular Orbital Calculations of Continuum Wavefunctions for H2� with Basis Functions of Atoms

H. Adachi, 2016 .

Ionic and covalent bonds in CeO2 crystal

H. Nakamatsu, H. Adachi, T. Mukoyama, 1995 .

Electronic Structure and Chemical Bondings of MgCr2-xO4

H. Moriwake, I. Tanaka, H. Adachi, 2000 .

First principles calculations of the formation energy of Cr/Al vacancies in spinel-type MgCr2O4 and MgAl2O4

Y. Koyama, H. Moriwake, I. Tanaka, 2003 .

DV-Xα Calculations of Electronic States and Chemical Bonds in CuO2-Layered Superconducting Oxides

H. Adachi, J. Sugiyama, Hiroshi Y. Yoshikawa, 1990 .

A Xanes Study of Square Copper(II) Complexes

H. Adachi, H. Wakita, M. Fujiwara, 1991 .

Electronic state of helium atoms in nickel metal

H. Adachi, S. Imoto, K. Fukushima, 1986 .

RELATIVISTIC SELF-CONSISTENT MOLECULAR ORBITAL CALCULATION FOR UF6

H. Adachi, S. Imoto, Bong-Il Kim, 1977 .

First-principles Calculation of Transition-metal L2,3-edge Electron-energy-loss Near-edge structures Based on Direct Diagonalization of the Many-electron Hamiltonian

I. Tanaka, H. Adachi, K. Ogasawara, 2002 .

Theoretical calculation for the multiplet structure of the tetrahedrally coordinated Cr4+ in Y3Al5O12

I. Tanaka, H. Adachi, T. Ishii, 2001 .

Theoretical Solution Energy of Alkaline Earth Ions in Lanthanum Chromites

Y. Koyama, H. Moriwake, I. Tanaka, 2002 .