Resultados de búsqueda - Density functionals

Diazo Esters as Dienophiles in Intramolecular (4 + 2) Cycloadditions: Computational Explorations of Mechanism. por Abing Duan, Peiyuan Yu, Fang Liu, Huang Qiu, Feng Long Gu, Doyle, Michael P., Houk, K. N.

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Asymmetric Copper Hydride-Catalyzed Markovnikov Hydrosilylation of Vinylarenes and Vinyl Heterocycles. por Gribble, Jr., Michael W., Pirnot, Michael T., Bandar, Jeffrey S., Liu, Richard Y., Buchwald, Stephen L.

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Shape-Dependent Electrocatalytic Reduction of CO to CO on Triangular Silver Nanoplates. por Subiao Liu, Hongbiao Tao, Li Zeng, Qi Liu, Zhenghe Xu, Qingxia Liu, Jing-Li Luo

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Absorption Tails of Donor:C Blends Provide Insight into Thermally Activated Charge-Transfer Processes and Polaron Relaxation. por Vandewal, Koen, Benduhn, Johannes, Scholz, Reinhard, Zeika, Olaf, Spoltore, Donato, Schellhammer, Karl Sebastian, Rückert, Janna E., Fan, Yeli, Barlow, Stephen, Marder, Seth R., Cuniberti, Gianaurelio, Ortmann, Frank, Vangerven, Tim, Piersimoni, Fortunato, Neher, Dieter, Manca, Jean

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Room Temperature Magnetically Ordered Polar Corundum GaFeO Displaying Magnetoelectric Coupling. por Niu, Hongjun, Pitcher, Michael J., Corkett, Alex J., Mandal, Pranab, Zanella, Marco, Claridge, John B., Rosseinsky, Matthew J., Ling, Sanliang, Slater, Ben, Cora, Furio, Dawson, Karl, Stamenov, Plamen, Batuk, Dmitry, Abakumov, Artem M., Bull, Craig L., Smith, Ronald I., Murray, Claire A., Day, Sarah J.

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Insights of Platinum Drug Interaction with Spinel Magnetic Nanocomposites for Targeted Anti-Cancer Effect. por Almohazey, Dana, Ravinayagam, Vijaya, Alamoudi, Widyan, Akhtar, Sultan, Dafalla, H., AlSuwaidan, Hind Nasser, Almutairi, Shoruq. T., Alghamdi, Hajer Saleh, Aldamen, Sukaina Ahmed, Almessiere, M. A., Baykal, A., Maarouf, Ahmed A., Jermy, B. Rabindran

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The Chameleonic Nature of Electron Transport through π-Stacked Systems. por Solomon, Gemma C., Herrmann, Carmen, Vura-Weis, Josh, Wasielewski, Michael R., Ratner, Mark A.

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Synhesis, anti-inflammatory and analgesic activity of the supramolecular complex of 3-EPI-2-deoxyecdysone and prospects for its medical application. por Tuleuov, Borash, Abulyaissova, Lyazzat, Temirgaziyev, Bakhtiyar, Kassymova, Maral, Almagambetov, Kairtai, Melsov, Maxat, Kozhanova, Aizhan, Drasar, Pavel, Adekenov, Sergazy

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Research Translation In Action: Nine Years Of 'Real World' Therapeutic Exercise To Prevent Osteoporotic Fracture: 1876...American College of Sports Medicine (ACSM) Annual Meeting,... por Beck, Belinda R., Collings, Tyler

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A corpus-based study on Chinese modification patterns of nouns across registers. por Dan Zhang, Minglu Xu, Yunhua Qu

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AUTONOMY AND AUTOMATION: COMPUTATIONAL MODELING, REDUCTION, AND EXPLANATION IN QUANTUM CHEMISTRY. por Lenhard, Johannes

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Highly efficient antibiotic decontamination and biotoxicity elimination with activity-stability considerations via encapsulated catalyst induced peroxymonosulfate activation. por Yu, Ting, Al-Dhabi, Naif Abdullah, Xing, Wenle, Zhu, Yangzhuang, Wang, Shikai, Jiang, Kanxin, Tang, Wangwang

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A novel Pac-Man structured Cu-Fe bimetallic catalyst for enhanced PAA activation: Unveiling the critical role of sulfur species in tetracycline hydrochloride degradation. por Cao, Zichen, Zhao, Yan, Li, Qingqing, Meng, Fanyue, Yu, Mengzhu, Cao, Songshan, Sheng, Guanghong, Ren, Dongdong, Song, Bing

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O2-facilitated electrochemical oxidation of pollutants on oxygen-functionalized carbon nanotubes. por Hu, Zhao-Jian, Wu, Ming-Ming, Hu, Yi, Zhai, Lin-Feng, Sun, Min

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Efficient degradation of carbamazepine by electro-Fenton coupled with persulfate activation by FeCo-PBA catalyst and its mechanism. por Cheng, Shu-Ting, Song, Jia-Xin, Shen, Xiao-Fang, Pang, Yue-Hong

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Evaluation of calcium-carboxylate MOFs (Ca-MOFs) as promising adsorbents for simultaneous adsorption of endocrine disruptors compounds (EDCs) from aqueous solutions. por Roslan, Muhammad Qusyairi Jori, Aris, Ahmad Zaharin, Sukatis, Fahren Fazzer, Zainuddin, Azim Haziq, Mohd Basyaruddin, Abdul Rahman, Lim, Hong Ngee, Isa, Noorain Mohd

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Efficient degradation of tetracycline via peracetic acid activation using Fe2SiO4: performance and mechanisms study. por Zhang, Haojie, Tang, Yanzhi, Xia, Simeng, Zeng, Hanxuan, Shi, Zhou, Deng, Lin

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Enhanced degradation of 1,2,4-trichlorobenzene by Pd-loaded biochar-supported nZVI: Through a reduction-oxidation coupling process. por Luo, Wenxuan, Xu, Chenghua, Wang, Chao, Yu, Dandan, Zhang, Yaping, Qu, Changsheng

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Directional electron migration in heteroatom-engineered MoS2 nanoflower structures boosts visible-light photocatalytic purification of sulfonylurea herbicides. por Liu, Bingkun, Zhang, Zihao, Xie, Xinying, Zhang, Wen, Tian, Weijun

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Resting state network dynamic reconfiguration and neuropsychological functioning in temporal lobe epilepsy: An HD-EEG investigation. por Duma, Gian Marco, Danieli, Alberto, Mattar, Marcelo G., Baggio, Martina, Vettorel, Airis, Bonanni, Paolo, Mento, Giovanni

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