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AMBER Force Field Parameters for Cobalt-Containing Biological Systems: A Systematic Derivation Study
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10.1021/acs.jpcb.9b10739 |
2020 - 01 |
Journal |
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DFT study on the mechanistic details of the hydrolysis of dicyan using acetaldehyde as the first organocatalyst
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10.1016/j.comptc.2019.03.014 |
2019 - 03 |
Journal |
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Retro-aza-Henry-type conversion of β-nitrostyrenes to the related hydrazones using ascorbic acid-functionalized graphene as a catalyst
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https://doi.org/10.1007/s13738-025-03194-z |
2025 - 03 |
Journal |
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Single-atom catalysts (SACs) for CO <sub>2</sub> to CO conversion using Cu, Ni, and Co on graphene flakes support; a DFT study
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10.1080/1536383X.2024.2412665 |
20245 - 04 |
Journal |
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The theoretical study of electron-induced trimerization of acrylic acid anion radical in the gas phase
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10.1007/s11164-023-05019-1 |
2023 - 05 |
Journal |
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Phosphorous-modified Porous Carbon Supported Nickel Nanoparticles as a Catalyst for the Reduction of Nitroaromatics in Water
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10.1002/slct.202200391 |
2022 - 07 |
Journal |
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Synthesis of a-cyano hydroxylamines via three-component reactions and its computational mechanistic study
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10.1007/s11144-019-01688-5 |
2020 - 02 |
Journal |
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Mechanistic details for the reaction of methyl acrylate radical anion: a DFT study
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2019 - 08 |
Journal |
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Density functional theory study of nickel and copper single-atom catalysts on graphitic carbon nitride for benzene to phenol oxidation
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2025 - 04 |
Journal |
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The regioselectivity in the gold-catalyzed cycloisomerization of alcohols: a full DFT study on carbene versus non-carbene mechanisms
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10.1007/s11164-024-05459-3 |
2024 - 11 |
Journal |
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Employing nano-SnFe2O4 in the synthesis of arylbenzimidazoles, the computational study of the reaction mechanism, and examining the products as putative human transmembrane protein activators
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10.1007/s11164-023-05065-9 |
2023 - 07 |
Journal |
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Synthesis of 14H-dibenzoxanthenes in green media using Sn(II)/nano silica as an efficient catalyst
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10.3389/fchem.2022.1015830 |
2022 - 11 |
Journal |
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Using ONIOM calculations to investigate the abilities of simple and nitrogen, boron, sulfur?doped carbon nanotubes in sensing of carbon monoxide
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10.1002/qua.26214 |
2020 - 03 |
Journal |
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Sulfur doped carbon porous as an efficient catalyst for sustainable energy processes
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10.1002/ep.13299 |
2020 - 01 |
Journal |
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Recent advances and new trends in the use of deep eutectic solvents in organic synthesis and other applications
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2025 - 05 |
Journal |
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Immobilized Gelatin- -Carrageenan on Magnetite Nanoparticles as an Efficient Organocatalyst for Enantioselective Biginelli Reaction
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10.1002/slct.201803986 |
2019 - 02 |
Journal |
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Diastereoselective electrochemical coupling of beta-nitrostyrenes using constant-current conditions
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https://doi.org/10.1016/j.rechem.2025.102116 |
2025 - 02 |
Journal |