50 results on '"Yamaguchi, Kizashi"'
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2. Roles of the Flexible Primary Coordination Sphere of the Mn4CaOx Cluster: What Are the Immediate Decay Products of the S-3 State?
3. Spin, Valence, and Structural Isomerism in the S3 State of the Oxygen-Evolving Complex of Photosystem II as a Manifestation of Multimetallic Cooperativity
4. Concerted Mechanism of Water Insertion and O2 Release during the S4 to S0 Transition of the Oxygen-Evolving Complex in Photosystem II
5. Chemical Equilibrium Models for the S3 State of the Oxygen-Evolving Complex of Photosystem II
6. Strong Coupling between the Hydrogen Bonding Environment and Redox Chemistry during the S2 to S3 Transition in the Oxygen-Evolving Complex of Photosystem II
7. Water Oxidation Chemistry of a Synthetic Dinuclear Ruthenium Complex Containing Redox-Active Quinone Ligands
8. Role of Perferryl–Oxo Oxidant in Alkane Hydroxylation Catalyzed by Cytochrome P450: A Hybrid Density Functional Study
9. Unique Structural and Electronic Features of Perferryl–Oxo Oxidant in Cytochrome P450
10. Potential Energy Curve for Ring-Opening Reactions: Comparison Between Broken-Symmetry and Multireference Coupled Cluster Methods
11. Multireference Character of 1,3-Dipolar Cycloaddition of Ozone with Ethylene and Acrylonitrile
12. Reinvestigation of the Reaction of Ethylene and Singlet Oxygen by the Approximate Spin Projection Method. Comparison with Multireference Coupled-Cluster Calculations
13. Theoretical Investigation of Thermal Decomposition of Peroxidized Coelenterazines with and without External Perturbations
14. Spin Contamination Error in Optimized Geometry of Singlet Carbene (1A1) by Broken-Symmetry Method
15. Electroconductive Porous Coordination Polymer Cu[Cu(pdt)2] Composed of Donor and Acceptor Building Units
16. Theoretical Investigation of the Magnetic Interactions of Ni9 Complexes
17. Regulation Mechanism of Spin−Orbit Coupling in Charge-Transfer-Induced Luminescence of Imidazopyrazinone Derivatives
18. Second Hyperpolarizabilities of Singlet Polycyclic Diphenalenyl Radicals: Effects of the Nature of the Central Heterocyclic Ring and Substitution to Diphenalenyl Rings
19. Theoretical Study on the Second Hyperpolarizabilities of Phenalenyl Radical Systems Involving Acetylene and Vinylene Linkers: Diradical Character and Spin Multiplicity Dependences
20. Second Hyperpolarizabilities (γ) of Bisimidazole and Bistriazole Benzenes: Diradical Character, Charged State, and Spin State Dependences
21. Mechanistic Insights in Charge-Transfer-Induced Luminescence of 1,2-Dioxetanones with a Substituent of Low Oxidation Potential
22. Quantum Master Equation Approach to the Second Hyperpolarizability of Nanostar Dendritic Systems
23. Second Hyperpolarizability (γ) of Singlet Diradical System: Dependence of γ on the Diradical Character
24. Spin Multiplicity Effects on the Second Hyperpolarizability of an Open-Shell Neutral π-Conjugated System
25. Theoretical Study on Static Second Hyperpolarizabilities for Several π-Conjugated Systems Including Nitrogen Atoms: Effects of Charged Defects and Extension of π-Conjugation
26. One-Dimensional CuBr42- Ion Array and CuBr3- Ion Chain Included in the π Conducting Framework Composed of Bis(methylthio)tetrathiafulvalenothioquinone-1,3-dithiocarbonatodithiolemethide Molecules
27. Preparation and Magnetic Properties of Mn(hfac)2-Complexes of 2-(5-Pyrimidinyl)- and 2-(3-Pyridyl)-Substituted Nitronyl Nitroxides
28. Density Analysis of Intermolecular Orbital-Interaction Effects on the Second Hyperpolarizabilities of π−π Stacking Dimers
29. Ab Initio Molecular Orbital Study on the G-Selectivity of GGG Triplet in Copper(I)-Mediated One-Electron Oxidation
30. Systematic Comparisons between Broken Symmetry and Symmetry-Adapted Approaches to Transition States by Chemical Indices: A Case Study of the Diels−Alder Reactions
31. Hybrid Density Functional Theory Studies on the Magnetic Interactions and the Weak Covalent Bonding for the Phenalenyl Radical Dimeric Pair
32. Theoretical Study on Second Hyperpolarizabilities of Phenylacetylene Dendrimer: Toward an Understanding of Structure−Property Relation in NLO Responses of Fractal Antenna Dendrimers
33. Theoretical Studies of Magnetic Interactions in Mn(II)(hfac)2{di(4-pyridyl)phenylcarbene} and Cu(II)(hfac)2{di(4-pyridyl)phenylcarbene}
34. Polarizabilities (α) of Dendritic Molecular Aggregates: Visualization of Intermolecular-Interaction and Damping Effects on α
35. Synthesis and Characterization of Novel Inclusion Complexes between Microporous Molybdenum(II) Dicarboxylates and Organic Polymers
36. Experimental and Theoretical Studies on the Selectivity of GGG Triplets toward One-Electron Oxidation in B-Form DNA
37. Structure−Property Correlation on Second Hyperpolarizabilities of Symmetric One-Center and Three-Center Radicals
38. Dynamics of Photon Phase and Information Entropy for a Two-State Molecular System Interacting with Amplitude- and Phase-Squeezed Fields
39. Analysis of Spatial Contribution to the Second Hyperpolarizabilities ofπ-Conjugated Systems Involving Sulfur Atoms
40. Solid-State High-Resolution1H and2D NMR Study of the Electron Spin Density Distribution of the Hydrogen-Bonded Organic Ferromagnetic Compound 4-Hydroxyimino-TEMPO
41. Mapping of the Hot Spots for DNA Damage by One-Electron Oxidation: Efficacy of GG Doublets and GGG Triplets as a Trap in Long-Range Hole Migration
42. Numerical Coupled Liouville Approach: Dependence of Polarizability on Field Intensity and the Size of Linear Molecular Aggregates
43. Elongation of the Quadruple CrII−CrIIBond Induced by Two PtMe2Moieties in the Linearly Aligned Tetrametal System, PtMe2···Cr−Cr···PtMe2
44. Thermochromism and Dynamics of Organometallic Conjugated Systems: Zirconocene Complex of 1,4-Diphenyl-1,3-butadiene
45. Theoretical Approaches to Direct Exchange Couplings between Divalent Chromium Ions in Naked Dimers, Tetramers, and Clusters
46. Orientation Dependence of the Electronic Coupling in the Energy Transfer Reaction CF3H + Ar(3P) .fwdarw. CF3* + Ar + H
47. Through-Bond and Long-Range Ferromagnetic Spin Alignment in a .pi.-Conjugated Polyradical with a Poly(phenylenevinylene) Skeleton
48. Ab initio molecular orbital study of nitrogen-containing polyenes with donor-acceptor substituents: dipole moment and static first hyperpolarizability
49. Synthesis and characterization of phenalenyl cations, radicals, and anions having donor and acceptor substituents: three redox states of modified odd alternant systems
50. Electronic spectra of 1-substituted and 1,4-disubstituted 1,3-butadienes. Comparisons between geometric isomers
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