Resultados de búsqueda - Density functionals

Multi-parametric [18F]PI-2620 tau PET/MRI for the phenotyping of different Alzheimer's disease variants. por Rullmann, Michael, Henssen, Dylan, Melasch, Juliana T., Scherlach, Cordula, Saur, Dorothee, Schroeter, Matthias L., Tiepolt, Solveig, Koglin, Norman, Stephens, Andrew W., Hesse, Swen, Strauss, Maria, Brendel, Matthias, Mishchenko, Olena, Schildan, Andreas, Classen, Joseph, Hoffmann, Karl-Titus, Sabri, Osama, Barthel, Henryk

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FARVaR: Functional Autoregressive Value-at-Risk. por Cai, Charlie X, Kim, Minjoo, Shin, Yongcheol, Zhang, Qi

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Gender specific age-related changes in bone density, muscle strength and functional performance in the elderly: a-10 year prospective population-based study. por Daly, Robin M, Rosengren, Bjorn E, Alwis, Gayani, Ahlborg, Henrik G, Sernbo, Ingemar, Karlsson, Magnus K

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Preparation of functional geopolymers from municipal solid waste incineration fly ash: An approach combining experimental and computational simulation studies. por Sun, Mingyi, Ma, Liping, Dai, Quxiu, Yang, Jie, Xie, Longgui, Hu, Yao, Duan, Li, Yan, Xiang, Zhou, Guanyun, Zeng, Linglong, Shao, Lan, Hu, Bo, Yan, Qichi

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Utilization of waste beverages for achieving carbon-based core-shell nanostructures of high visible light photocatalytic performance. por Dewa, Hideki, Yoda, Kazumasa, Mine, Shinya, Wang, Zheng-Ming, Sano, Taizo, Koura, Setsuko

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Novel phosphate functionalized sodium alginate hydrogel for efficient adsorption and separation of Nd and Dy from Co. por Zhong, Yilai, Ning, Shunyan, Wu, Kun, Li, Zengyuan, Wang, Xinpeng, He, Chunlin, Fujita, Toyohisa, Wang, Ji, Chen, Lifeng, Yin, Xiangbiao, Hamza, Mohammed F., Wei, Yuezhou

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Green synthesis of CaxLa1-xMnO3 with modulation of mesoporous and vacancies for efficient low concentration phosphate adsorption. por Feng, Menghan, Li, Mengmeng, Guo, Changbin, Yuan, Mingyao, Zhang, Lisheng, Qiu, Shangkai, Fu, Weilin, Zhang, Keqiang, Guo, Haixin, Wang, Feng

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Green and efficient recycling method for spent Ni–Co–Mn lithium batteries utilizing multifunctional deep eutectic solvents. por Luo, Yi, Deng, Ying, Shi, Huiying, Yang, Hao, Yin, Chengzhe, Ou, Leming

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One-dimensional physics of the frustrated quantum magnet PHCC. por Tsirlin, Alexander A., Janson, Oleg, Rousochatzakis, Ioannis

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Efficient degradation of 2,4-dichlorophenol by heterogeneous electro-Fenton using bulk carbon aerogels modified in situ with FeCo-LDH as cathodes: Operational parameters and mechan... por Xue, Cheng, Ma, Jianrui, Chen, Xi, Liu, Dongfang, Huang, Wenli

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Extraction of W, V, and As from spent SCR catalyst by alkali pressure leaching and the pressure leaching mechanism. por Liu, Jinlong, Wang, Chenye, Hou, Xinjuan, Li, Huiquan, Wang, Xingrui, Hu, Wenbin, Ge, Te, Zhang, Jianbo, Zhu, Ganyu, Xie, Haijiao

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Study on oxidation behavior during process of recycling carbon fibers from CFRP by pyrolysis. por Ren, Yiyao, Xu, Lei, Sun, Yongfen, Li, Xuan, Shen, Zhigang, Li, Hang, Liu, Jianhau

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Unexpected enhancement of sulfuric acid-driven new particle formation by alcoholic amines: The role of ion-induced nucleation. por Wang, Shengming, Zhang, Qingzhu, Wang, Wenxing, Wang, Qiao

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High-value utilization of Cr-containing sludge: Eco-friendly and ultra-low-cost electrocatalyst for efficient OER in alkaline media from Cr-containing sludge. por Lu, Qiangqiang, Han, Qingxin, Wang, Xuechuan, Wei, Chao, Guan, Xiaoyu, Qu, Chun, Li, Ji

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Degradation of levofloxacin from antibiotic wastewater by pulse electrochemical oxidation with BDD electrode. por Xu, Tao, Tang, Xiting, Qiu, Meiting, Lv, Xiaoliu, Shi, Yang, Zhou, Yihui, Xie, Yanfei, Naushad, Mu., Lam, Su Shiung, Ng, Hui Suan, Sonne, Christian, Ge, Shengbo

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PCDD/F adsorption enhancement over nitrogen-doped biochar: A DFT-D study. por Xiong, Shijian, Tang, Minghui, Jiang, Wenqian, Ding, Jiamin, Qiu, Juan, Lu, Shengyong, Yan, Jianhua

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C-BN Single-Walled Nanotubes from Hybrid Connection of BN/C Nanoribbons: Prediction by ab initio Density Functional Calculations. por Aijun Du, Ying Chen, Zhonghua Zhu, Gaoqing Lu, Sean C. Smith

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Spin-Density Distribution of the Carotenoid Triplet State in the Peridinin-Chlorophyll-Protein Antenna. A Q-Band Pulse Electron-Nuclear Double Resonance and Density Functional Theo... por Niklas, Jens, Schulte, Tim, Prakash, Shipra, van Gastel, Maurice, Hofmann, Eckhard, Lubitz, Wolfgang

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Interaction Energy Contributions of H-Bonded and Stacked Structures of the AT and GC DNA Base Pairs from the Combined Density Functional Theory and Intermolecular Perturbation Theo... por Hesselmann, Andreas, Jansen, Georg, Schutz, Martin

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Tungsten-doped TiO2/reduced Graphene Oxide nano-composite photocatalyst for degradation of phenol: A system to reduce surface and bulk electron-hole recombination. por Yadav, Manisha, Yadav, Asha, Fernandes, Rohan, Popat, Yaksh, Orlandi, Michele, Dashora, Alpa, Kothari, D.C., Miotello, Antonio, Ahuja, B.L., Patel, Nainesh

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