Search Results - "Kuroki, Ayaka"
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Adsorption mechanism of metal ions on activated carbon
Published in Adsorption : journal of the International Adsorption Society (15-08-2019)“…Environmental pollution, particularly that caused by the presence of heavy metals in wastewater, is a serious problem. Therefore, heavy metals should be…”
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Proton-Transfer Dynamics in Protonated Benzene
Published in Bulletin of the Chemical Society of Japan (01-07-2016)“…The proton-transfer reaction mechanism in protonated benzene was examined using ab initio molecular dynamics, paying special attention to cooperative motions…”
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Significant role of counterion for lead(Ⅱ) ion adsorption on carbon pore surface
Published in Carbon (New York) (30-08-2022)“…We have presented a predictive tool for describing Pb2+ adsorption on activated carbon (AC). Based on the correlation between the G/D ratio and the adsorbed…”
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Evaluation of cytochrome P450 inductions by anti-epileptic drug oxcarbazepine, 10-hydroxyoxcarbazepine, and carbamazepine using human hepatocytes and HepaRG cells
Published in Xenobiotica (01-09-2016)“…Anti-epileptic drug oxcarbazepine is structurally related to carbamazepine, but has reportedly different metabolic pathway. Auto-induction potentials of…”
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Theoretical studies on ammonia borane dehydrogenation catalyzed by iron pincer complexes
Published in Computational and theoretical chemistry (15-08-2016)“…Potential energy profile for the dehydrogenation of AB catalyzed by a series of Fe bis(phosphinite) pincer complexes. [Display omitted] •Potential energy…”
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Theoretical Studies of Solvation Effects on 2-(2-Hydroxyphenyl)benzimidazole
Published in Chemistry letters (05-07-2012)“…Stabilization energies at enol, keto, and transition state structures of 2-(2-hydroxyphenyl)benzimidazole in several types of solvents are systematically…”
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