Zobrazeno 1 - 10
of 913
pro vyhledávání: '"Keiji Morokuma"'
Publikováno v:
ACS Omega, Vol 4, Iss 1, Pp 1178-1184 (2019)
Externí odkaz:
https://doaj.org/article/3bf1283163c3417a9f153ff53d025f1d
Autor:
Akhilesh K. Sharma, Masaharu Nakamura, Takahiro Toyoda, Hiroto Kawasaki, Hikaru Takaya, Keiji Morokuma, Yuma Aoki
Publikováno v:
Asian Journal of Organic Chemistry. 9:372-376
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ecd67fbcabc7ea47e0471122376e0ea6
https://doi.org/10.1002/ajoc.201900641
https://doi.org/10.1002/ajoc.201900641
Publikováno v:
International Journal of Quantum Chemistry. 121
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b6ced78aadcce063c824b57578b653b6
https://doi.org/10.1002/qua.26663
https://doi.org/10.1002/qua.26663
Photochemical reactions of small molecules occur upon irradiation by ultraviolet or visible light, and they are a very important and controversial chemical process in the Earth’s atmosphere because they impact our quality of life and health. Small-
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7ad1c80b0b9ce36bf48a9a7f9186586d
https://doi.org/10.22541/au.161286824.45885921/v1
https://doi.org/10.22541/au.161286824.45885921/v1
Publikováno v:
Communications Chemistry, Vol 3, Iss 1, Pp 1-8 (2020)
Fluorogenic probes are essential tools for real-time visualization of dynamic intracellular processes in living cells, but so far, their design has been largely dependent on trial-and-error methods. Here we propose a quantum chemical calculation-base
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::910dafbc34562b83620bc3b48c0483e0
https://doi.org/10.1038/s42004-020-0326-x
https://doi.org/10.1038/s42004-020-0326-x
Autor:
Ryohei Uematsu, Nathan J. O'Brien, Naokazu Kano, Keiji Morokuma, Nizam Havare, Romain Ramozzi
The isolation and reactivities of two pentacoordinated phosphorus–tetracoordinated boron bonded compounds wereexplored. A strong Lewis acidic boron reagent and electron-withdrawing ligand system were required to form thepentacoordinated phosphorus
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::64f4c903fa2754e2aff65bfc47d346b4
https://doi.org/10.26434/chemrxiv.11822676
https://doi.org/10.26434/chemrxiv.11822676
Bridged Stilbenes: AIEgens Designed via a Simple Strategy to Control the Non-radiative Decay Pathway
Autor:
Gen-ichi Konishi, Keiji Morokuma, Amir Sharidan Sairi, Kazunobu Igawa, Shunsuke Sasaki, Riki Iwai, Satoshi Suzuki, Tomoyoshi Suenobu
Publikováno v:
Angewandte Chemie International Edition
Angewandte Chemie International Edition, Wiley-VCH Verlag, 2020, ⟨10.1002/anie.202000943⟩
Angewandte Chemie International Edition, Wiley-VCH Verlag, 2020, ⟨10.1002/anie.202000943⟩
To broaden the application of aggregation‐induced emission (AIE) luminogens (AIEgens), the design of novel small‐molecular dyes that exhibit high fluorescence quantum yield (Φfl) in the solid state is required. Considering that the mechanism of
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5ac75b50ac82cbbc7b9b16ddc9b2fbdc
https://pubmed.ncbi.nlm.nih.gov/32119188
https://pubmed.ncbi.nlm.nih.gov/32119188
Publikováno v:
ACS Catalysis. 8:10419-10429
We present mechanistic details of the formation of a NiFe hydride complex and provide information on its electron- and hydride-transfer processes on the basis of density functional theory calculati...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::fc79e08d82f1081603664a9023acdd48
https://doi.org/10.1021/acscatal.8b02368
https://doi.org/10.1021/acscatal.8b02368
Publikováno v:
Organometallics. 37:1534-1545
The mechanism for dioxygen activation using the biomimetic model complex of [NiFe]-hydrogenase, [NiLFe(η5-C5Me5)]+ [L = N,N′-diethyl-3,7-diazanonane-1,9-dithiolato] was established using density functional theory (DFT) and artificial force-induced
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1518453c7e8f51214e2d9196cb86d409
https://doi.org/10.1021/acs.organomet.8b00098
https://doi.org/10.1021/acs.organomet.8b00098
Publikováno v:
Journal of CO2 Utilization. 25:1-5
The reaction mechanism of the hydroxycarbonylation of cyclohexene with formic acid to form cyclohexanecarboxylic acid using organorhodium complexes was investigated both experimentally and computationally. It was found that excess CH3I and PPh3 promo
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::421b5261dd31e6171846d5dca513c9be
https://doi.org/10.1016/j.jcou.2018.02.015
https://doi.org/10.1016/j.jcou.2018.02.015