192 research outputs found

    "Rivers of the soul" by Miyamoto Yuriko : biography of the author, translation, discussion

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    Miyamoto Yuriko has been acclaimed as a writer for many years, although it is perhaps only since the war that her works have been made more readily available to the public. During much of her life, she was placed under a writing ban by the authorities and could publish little. Moreover, the works she wrote as a Communist, and her works on women in particular, were more readily accepted by the public after various social changes occurred in post-war Japan. Most of her works, apart from essays and criticisms of which she wrote a great many, are autobiographical. This lends a deep credibility and vitality to her writing since her growth and development, both as a woman and as a writer, are vividly portrayed. One of her works, "Kokoro no Kawa", is a short story describing in semi-autobiographical style her first marriage to Araki Shigeru. It depicts the protagonist's development, and her increasing awareness and understanding of her position, to the final climax of the story. A translation of "Kokoro no Kawa" is here presented, together with a biography of Yuriko and a detailed analysis of the story itself

    Miyamoto Yuriko: A trajetória de um "eu" feminino na história japonesa

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    The watakushi shōsetsu, or shishōsetsu — translated as I novel or narrative of the self — is a term used to classify many literary works written in Japan, especially those from the first half of the 20th, it brings together the most diverse types of texts under its name as long as the subject dealt with in them can be associated with reality, understood as the experiences lived by its author. This article deals with the trajectory of the Japanese writer Miyamoto Yuriko (1899-1951) in whose work political engagement and efforts to denounce the female condition in Japanese society play a central role, and examines the extent to which her writing, in which many autobiographical elements are present, would be further or closer to the notion of watakushi shōsetsu.O watakushi shōsetsu, ou shishōsetsu — que pode ser traduzido como romance, escrita ou narrativa do eu — é um termo usado para classificar muitas obras escritas no Japão, especialmente aquelas da primeira metade do século XX, e reúne os mais diversos tipos de textos sob a sua rubrica, bastando que o assunto tratado neles possa ser associado à realidade, entendida como as experiências vividas por seu autor. Este artigo trata da trajetória da escritora japonesa Miyamoto Yuriko (1899-1951), em cuja obra, o engajamento político e os esforços para denunciar a condição feminina na sociedade japonesa ocupam um papel central, e examina em que medida sua escrita, na qual muitos elementos autobiográficos estão presentes, se afastaria ou se aproximaria do watakushi shōsetsu

    Multi-state Energy Landscape for Photoreaction of Stilbene and Dimethyl-stilbene

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    We have recently developed the reaction space projector (ReSPer) method, which constructs a reduced-dimensionality reaction space uniquely determined from reference reaction paths for a polyatomic molecular system and projects classical trajectories into the same reaction space. In this paper, we extend ReSPer to the analysis of photoreaction dynamics and relaxation processes of stilbene and present the concept of a multi-state energy landscape, incorporating the ground-and excited-state reaction subspaces. The multi-state energy landscape successfully explains the previously established photoreaction processes of cis- stilbene, such as the cis-trans photoisomerization and photocyclization. In addition, we discuss the difference in the excited-state reaction dynamics between stilbene and 1,1 '-dimethyl stilbene based on a common reaction subspace determined from the framework part of reference structures with different number of atoms. This approach allows us to target any molecule with a common framework, greatly expanding the applicability of the ReSPer analysis. The multi-state energy landscape provides fruitful insight into photochemical reactions, exploring the excited-and ground-state potential energy surfaces, as well as comprehensive reaction processes with nonradiative transitions between adiabatic states, within the stage of a reduced-dimensionality reaction space

    Visualization of the Dynamics Effect: Projection of on-the-Fly Trajectories to the Subspace Spanned by the Static Reaction Path Network

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    Following our recent work to reduce a dimension of a set of reference structures along the intrinsic reaction coordinate (IRC) by a classical multidimensional scaling (CMDS) approach (J. Chem. Theory Comput. 2018, 14, 4263-4270), we propose the method to project on-the-fly trajectories into a reduced-dimension subspace determined by the IRC network, using the out-of-sample extension of CMDS. The method was applied to the S(N)2 reaction, OH- + CH3F, in which trajectories show a bifurcating nature around the highly curved region of the IRC path, and to the structural transformation of Au-5 cluster in which the global reaction path network consists of five equilibrium structures and 14 IRCs. It was demonstrated that the present analysis can visualize the dynamics effect by showing a dynamic reaction route on the basis of the static reaction paths

    Fundamental peak disappears upon binding of a noble gas : a case of the vibrational spectrum of PtCO in an argon matrix

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    Anharmonic vibrational state calculations were performed for PtCO and Ar-PtCO via the direct vibrational configuration interaction (VCI) method based on CCSD(T) energies and CCSD dipole moments at tens of thousands of grids, to get insights into the anomalous effect of a solid argon matrix on the vibrational spectra of PtCO. It was shown that, through the binding of Ar to PtCO via a strong van der Waals interaction, the Pt-C-O bending fundamental level drastically loses the infrared intensity although the corresponding overtone band shows a relatively large intensity. The origin of this phenomenon was analyzed based on the dipole moment surfaces and electron densities around the equilibrium structure. The present computations have solved the inconsistency between the gas-phase and the matrix-isolation experiments for PtCO

    Visualization of reaction route map and dynamical trajectory in reduced dimension

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    In the quantum chemical approach, chemical reaction mechanisms are investigated based on a potential energy surface (PES). Automated reaction path search methods enable us to construct a global reaction route map containing multiple reaction paths corresponding to a series of elementary reaction processes. The on-the-fly molecular dynamics (MD) method provides a classical trajectory exploring the full-dimensional PES based on electronic structure calculations. We have developed two reaction analysis methods, the on-the-fly trajectory mapping method and the reaction space projector (ReSPer) method, by introducing a structural similarity to a pair of geometric structures and revealed dynamic aspects affecting chemical reaction mechanisms. In this review, we will present the details of these analysis methods and discuss the dynamics effects of reaction path curvature and reaction path bifurcation with applications to the CH3OH + OH- collision reaction and the Au-5 cluster branching and isomerization reactions

    Analyses of trajectory on-the-fly based on the global reaction route map

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    A methodology to analyze a trajectory on-the-fly (TOF) based on a global reaction route map consisting of intrinsic reaction coordinate (IRC) pathways is proposed. By using the distance functions in the configurational space, the location of each point on the trajectories is detected, providing a dynamical picture that the molecular system goes over several minima and transition states in the reaction path network. In its application to structural transformations of an Au-5 cluster, a variety of reaction routes are obtained, and the hopping from one IRC to another IRC (IRC-jump) is analyzed. The branching of trajectories over many minima on the potential energy surface via valley-ridge transition points is also discussed

    ]pyridazine‐7‐ylidene: Synthesis of Trinuclear Heterobimetallic Complexes Involving Gold‐Metal Interactions

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    As a dimetal-binding rigid scaffold, 2-(pyridin-2-yl)imidazo[1,5-b]pyridazine-7-ylidene was introduced. The scaffold was first converted into a meridional Au,N,N-tridentate ligand through binding of a Au(I)Cl moiety at the carbene center. The Au(I) center and the N,N-chelating moiety were expected to function as metallophilic and 4e-& sigma;-donative interaction sites, respectively, in the binding of the second metal center. In this manner, various trinuclear heterobimetallic complexes were synthesized with different 3d-metal sources, such as cationic Cu-I, Cu-II, Ni-II, and Co-II salts. SC-XRD analysis showed that the mono-3d-metal di-gold(I) trinuclear heterobimetallic complexes were constructed through gold(I)-metal interactions. Metallophilic interactions were also investigated by quantum chemical calculations including the AIM and IGMH methods

    Theoretical study of carbon isotope effects in the nonclassical carbonyl cation CO/[M(CO)(n)](+) (M = Cu, Ag, Au; n=1-4)

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    In order to find an ideal exchange system for carbon isotope separation, carbon isotope effects in the CO/[M(CO)(n)](+) (M = Cu, Ag, Au; n = 1-4) complex system were analyzed using density functional theory calculations, and the isotopic equilibrium constants were calculated as the ratio of the reduced partition function ratios of the C-13/C-12 isotopic pairs. It is shown that the isotope equilibrium constant changes with the coordination number of CO to the complex as the temperature changes. In CO/[Au(CO)(n)](+), the contribution of bending vibration to the isotope effect increases, so that a higher isotope effect is expected than CO/[Ag(CO)(n)](+)

    Theoretical study of Ng–NiN2 (Ng=Ar,Ne,He)

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