Zobrazeno 1 - 10 of 92 pro vyhledávání: '"Yasuhiro Ikabata"'
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Akademický článek
Near-infrared absorption of π-stacking columns composed of trioxotriangulene neutral radicals
Autor: Yasuhiro Ikabata, Qi Wang, Takeshi Yoshikawa, Akira Ueda, Tsuyoshi Murata, Kazuki Kariyazono, Miki Moriguchi, Hiroshi Okamoto, Yasushi Morita, Hiromi Nakai
Publikováno v: npj Quantum Materials, Vol 2, Iss 1, Pp 1-7 (2017)
Organic electronics: strong near-infrared light absorption with radical columns Near-infrared light absorption is enhanced by trioxotriangulene radicals that self-assemble into one-dimensional columns. Organic materials are attractive candidates for
Externí odkaz: https://doaj.org/article/9b585d170bab47809bfa5b823c4c1cc2
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Unveiling controlling factors of the S0/S1 minimum-energy conical intersection (3): Frozen orbital analysis based on the spin-flip theory
Autor: Takeshi Yoshikawa, Yasuhiro Ikabata, Hiromi Nakai, Kentaro Ogawa, Ken Sakata
Publikováno v: The Journal of Chemical Physics. 158
Conical intersections (CIs), which indicate the crossing of two or more adiabatic electronic states, are crucial in the mechanisms of photophysical, photochemical, and photobiological processes. Although various geometries and energy levels have been
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::f89103cbfc9173ddebf313185c561d2a
https://doi.org/10.1063/5.0151492
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7
Picture-change correction in relativistic density functional theory
Autor: Yasuhiro Ikabata, Hiromi Nakai
Publikováno v: Physical Chemistry Chemical Physics. 23:15458-15474
Relativistic quantum chemical calculations are performed based on one of two physical pictures, namely the Dirac picture and the Schrödinger picture. With regard to the latter, the so-called picture-change effect (PCE) and picture-change correction
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::059602455ef72abe4e78763287dca349
https://doi.org/10.1039/d1cp01773j
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8
Spin‐flip approach within time‐dependent density functional tight‐binding method: Theory and applications
Autor: Mayu Inamori, Yoshifumi Nishimura, Hiromi Nakai, Yasuhiro Ikabata, Takeshi Yoshikawa
Publikováno v: Journal of Computational Chemistry. 41:1538-1548
A spin-flip time-dependent density functional tight-binding (SF-TDDFTB) method is developed that describes target states as spin-flipping excitation from a high-spin reference state obtained by the spin-restricted open shell treatment. Furthermore, t
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3415678742fc6a2a4285b9dcc68990f1
https://doi.org/10.1002/jcc.26197
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10
Direct Near Infrared Light–Activatable Phthalocyanine Catalysts
Autor: Hiromi Nakai, Taniyuki Furuyama, Hajime Maeda, Masahito Segi, Yasuhiro Ikabata, Yoshino Katsurayama
Publikováno v: Chemistry – A European Journal. 28
The high penetration of near-infrared (NIR) light makes it effective for use in selective reactions under light-shielded conditions, such as in sealed reactors and deep tissues. Here, we report the development of phthalocyanine catalysts directly act
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::57f13db3a9bc21ca7ca54f4cde7678ee
https://doi.org/10.1002/chem.202103223
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