Theoretical Study of the Transition Energies of the Visible Absorption Spectra of [RhCl_6}^<3-> and {RhCl_5(H_2O)]^<2->
スポンサーリンク
概要
- 論文の詳細を見る
- 1995-06-15
著者
-
中辻 博
京都大学大学院工学研究科
-
Hada M
Kyoto Univ. Kyoto
-
Hada Masahiko
Department Of Synthetic Chemistry And Biological Chemistry Faculty Of Engineering Kyoto University
-
NAKATSUJI Hiroshi
Department of Synthetic Chemistry and Biological Chemistry, Faculty of Engineering, Kyoto University
-
Endo Kazunaka
Tsukuba Research Laboratory Mitsubishi Paper Mills Ltd.
-
Endo Kazunaka
Tsukuba Research Laboratory Mitsubishi Paper Mills Ltd
-
SUGIMOTO Manabu
Department of Bioresources Chemistry, Faculty of Agriculture, Okayama University
-
Nakatsuji Hiroshi
Electronics High-technology Research Center And Faculty Of Engineering Kansai University
-
Nakatsuji Hiroshi
Department Of Synthetic Chemistry And Biological Chemistry Faculty Of Engineering Kyoto University
-
Sugimoto M
Department Of Synthetic Chemistry And Biological Chemistry Faculty Of Engineering Kyoto University
-
Sugimoto Manabu
Department Of Applied Biological Science College Of Bioresource Sciences Nihon University
-
SAIKAWA Masahiko
R&D Laboratory for Photo Materials, Mitsubishi Paper Mills, Ltd.
-
Saikawa Masahiko
R&d Laboratory For Photo Materials Mitsubishi Paper Mills Ltd.
-
Hada Masahiko
Department Of Chemistry Graduate School Of Science And Engineering Tokyo Metropolitan University
-
Nakatsuji Hiroshi
Department of Hydrocarbon Chemistry, Faculty of Engineering, Kyoto University
関連論文
- ゼオライト細孔内でのケトンの吸着状態と光化学過程におよぼす交換カチオンの影響とその分子軌道計算による検討
- Quasirelativistic theory for magnetic shielding constants. II. Gauge-including atomic orbitals and applications to molecules
- Ground and excited states of linked and fused zinc porphyrin dimers: Symmetry adapted cluster (SAC)-configuration interaction (CI) study
- Ionized and excited states of ferrocene: Symmetry adapted cluster-configuration-interaction study
- Fine theoretical spectroscopy using symmetry adapted cluster-configuration interaction general-R method: Outer- and inner-valence ionization spectra of CS2 and OCS
- Excited and ionized states of aniline: Symmetry adapted cluster configuration interaction theoretical study
- Structure of the exact wave function. V. Iterative configuration interaction method for molecular systems within finite basis
- Inverse Schrodinger equation and the exact wave function
- Structure of the exact wave function. IV. Excited states from exponential ansatz and comparative calculations by the iterative configuration interaction and extended coupled cluster theories
- Structure of the exact wave function. III. Exponential ansatz
- Structure of the exact wave function. II. Iterative configuration interaction method
- Electronic excitation and ionization spectra of azabenzenes: Pyridine revisited by the symmetry-adapted cluster configuration interaction method
- Electronic excitation spectrum of thiophene studied by symmetry-adapted cluster configuration interaction method
- Electronic excitation spectra of furan and pyrrole: Revisited by the symmetry adapted cluster-configuration interaction method
- Electronic excitation and ionization spectra of cyclopentadiene: Revisit by the symmetry-adapted cluster-configuration interaction method
- Structure of the exact wave function
- Direct determination of second-order density matrix using density equation: Open-shell system and excited state
- SAC-CI法の理論と応用 (高精度分子設計と新素材開発--機能化学の新展開をめざして) -- (種々の計算化学的手法)
- The Electronic Spectra of Ethylene
- 金属と金属酸化物表面への水素の吸着と化学反応
- オレフィンの部分酸化反応
- 金属における吸着水素と吸蔵水素の電子状態と反応性 (表面水素とバルク水素その触媒反応とのかかわり)
- 触媒の量子化学--表面・分子相互作用系の視点から (物質設計の誘惑--固体物理の新しい世界)
- パラジウム-水素分子系の化学吸着と触媒反応--モデル系に関する理論的研究 (第56回触媒討論会特集号(予稿)) -- (吸着および表面など)
- Structural Analysis of the L-Methionine γ-Lyase Gene from Pseudomonas putida^1
- Adaptive evolution of the chalcone isomerase genes in the Leguminosae based on the likelihood analysis
- Theoretical Study on Metal NMR Chemical Shifts. Electronic Mechanism of the Xe Chemical Shift
- Theoretical Study of the Transition Energies of the Visible Absorption Spectra of [RhCl_6}^ and {RhCl_5(H_2O)]^
- Different Magnetic Properties of Charge-Transfer Complexes and Cation Radical Salts of Tetrathiafulvalene Derivatives Substituted with Imino Pyrolidine- and Piperidine-1-oxyls
- Intramolecular Spin-Spin Exchange in Cation Radicals of Tetrathiafulvalene Derivatives Substituted with Imino Pyrolidine- and Piperidine-1-oxyls
- Spectral Analysis of Eight Polymers in SIMS by MO Calculation. Prediction of Cleavage of Polymers and Structural Formula of the Positive-Ion Fragment
- Reaction Mechanism of the Pyrolysis of Polycarvosilane and Polycarbosilazane as Ceramic Precursors
- Calculations and Electronic Analyses of ^Mn and ^C Nuclear Magnetic Shielding Constants for Mn(CO)_5X (X = H, F, Cl, Br, I, and CH_3) and M(CO)(NH_3)_3 (M = Cr^, Fe^, Cu^+, and Zn^)
- Electronic Excited States Calculated Using Generalized Spin-Orbital Functions Including Spin-Orbit Interactions
- Quantum Mechanical Influence on Flat-Band Capacitance for Metal-Oxide-Semiconductor Structures with Nanometer-Thick Silicon Oxide Film and the Impact of Oxide Charge Evaluation
- Quantum Mechanical Influence on Flat-Band Capacitance in Metal-Oxide-Semiconductor Structures with a Nanometer-Thick Silicon Oxide Film and the Impact of Oxide Charge Evaluation
- Quantum mechanical effect in temperature dependence of threshold voltage of extremely thin SOI MOSFETs
- Quantization Effect in Temperature Dependence of Threshold Voltage of Extremely-Thin SOI MOSFETs
- Simulation of XPS of Poly(vinyl alcohol), Poly(acrylic acid), Poly(vinyl acetate), and Poly(methyl methacrylate) Polymers by an Ab Initio MO Method Using the Model Molecules
- Simulation of the Valence X-Ray Photoelectron Spectra of 16 Polymers by the Semiempirical HAM/3 MO Method Using the Model Molecules
- Analysis of C1s Spectra of N-, O-, and X-Containing Polymers in X-Ray Photoelectron Spectroscopy by Ab Initio Molecular Orbital Calculations Using Model Molecules
- Heavy Atom Effect on 14 Group Nuclear Shielding Constant of SiX_4 and CH_X_n (X=Cl, Br, I; n=1, 2, 3, 4)
- Color Tuning Mechanism of Human Red, Green, and Blue Cone Pigments : SAC-CI Theoretical Study
- Spectral Analysis of Polystyrene, Polypropylene, and Poly(methyl methacrylate) Polymers in TOF SIMS and XPS by MO Calculations Using the Model Oligomers
- Analysis of Microcapsule Resin Using the X-Ray Photoelectron Nitrogen 1s Spectral Method
- Simulation of C1s Spectra of C- and O-Containing Polymers in XPS by Ab Initio MO Calculations Using Model Oligomers
- Relativistic Contribution to Nuclear Chemical Shielding. Field-Dependent Chemical Shielding is Negligibly Small
- Theoretical Study of the Ionized Electronic Structure of the Octahedral Complex MoF_6
- A Theoretical Study on the Oxidative Addition of a Si-H σ-Bond to [MCl(CO)(PH_3)_2](M=Rh or Ir). Similarities to and Diffrences from [M'(PH_3)_2](M'=Pd or Pt) and [RhCl(PH_3)_2]
- Nuclear Magnetic Shielding and Aromaticity of [18]Annulene and Its Quasi-Mobius-Type Analogues
- Electronic Excited States Calculated Using Generalized Spin-Orbital Functions Including Spin-Orbit Interactions
- Structure analysis of metal(I) halides mixed crystal by 63Cu MAS NMR and X-ray diffraction methods. I. CuxAg1-xI crystal.
- An MO Interpretation of the Chemical Shifts of the Binding Energies of Inner-shell Electrons. II. A Study of Intramolecular Shifts
- Diagonal Born-Oppenheimer Correction Based on Spin-Free Relativistic Hamiltonians