Search Results - Density functionals

Reduction and adsorption of uranium(VI) from aqueous solutions using nanoscale zero-valent manganese. by Li, Xiaohan, Huang, Juanxi, Shi, Zhengqin, Xie, Yuan, Xu, Zhengfan, Long, Jianyou, Song, Gang, Wang, Yaxuan, Zhang, Gaosheng, Luo, Xiatiao, Zhang, Ping, Zha, Shuxiang, Li, Huosheng

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An Investigation into the Usage of Monosaccharides with GLUT1 and GLUT3 as Prognostic Indicators for Cancer. by Gökalp, Faik

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PDFs and Dual PDFs. by Nadarajah, Saralees

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Characterizing Density Crossing Points. by Finner, Helmut, Roters, Markus, Dickhaus, Thorsten

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Plasma-catalytic remediation of pharmaceutical-contaminated wastewater: Catalyst design and mechanistic insights from DFT. by Moradi, Hiresh, Vanlalhmingmawia, Chhakchhuak, Kim, Dong-Su, Yang, Jae-Kyu

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Nearly Nonparametric Multivariate Density Estimates that Incorporate Marginal Parametric Density Information. by Spiegelman, Clifford, Park, Eun Sug

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Highly efficient persulfate catalyst prepared from modified electrolytic manganese residues coupled with biochar for the roxarsone removal. by Li, Mengke, He, Zhiguo, Zhong, Hui, Sun, Wei, Ye, Mingqiang, Tang, Yetao

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Conductive materials as fantastic toolkits to stimulate direct interspecies electron transfer in anaerobic digestion: new insights into methanogenesis contribution, characterizatio... by Wu, Linjun, Jin, Tao, Chen, Hong, Shen, Zhiqiang, Zhou, Yuexi

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EMPIRICAL POLYCENTRICITY: THE COMPLEX RELATIONSHIP BETWEEN EMPLOYMENT CENTERS. by Craig, Steven G., Kohlhase, Janet E., Perdue, Adam W.

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Direct Conversion of Methane to Methanol on Ni-Ceria Surfaces: Metal-Support Interactions and Water-Enabled Catalytic Conversion by Site Blocking. by Lustemberg, Pablo G., Palomino, Robert M., Gutie'rrez, Ramo'n A., Grinter, David C., Vorokhta, Mykhailo, Zongyuan Liu, Ramírez, Pedro J., Matolín, Vladimír, Ganduglia-Pirovano, M. Vero'nica, Senanayake, Sanjaya D., Rodriguez, Jose' A.

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Structure-Property Relationships for Tailoring Phenoxazines as Reducing Photoredox Catalysts. by McCarthy, Blaine G., Pearson, Ryan M., Chern-Hooi Lim, Sartor, Steven M., Damrauer, Niels H., Miyake, Garret M.

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Effect of Varying Pnictogen Elements (Pn = N, P, As, Sb, Bi) on the Optoelectronic Properties of SrZnPn. by Murtaza, G., Yousaf, N., Laref, A., Yaseen, M.

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Doubly and Triply Charged Species Formed from Chlorobenzene Reveal Unusual C-Cl Multiple Bonding. by Fantuzzi, Felipe, Rudek, Benedikt, Wolff, Wania, Nascimento, Marco Antonio Chaer

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Hydronium-Induced Switching between CO Electroreduction Pathways. by Seifitokaldani, Ali, Dinh, Cao-Thang, Kibria, Md Golam, Sargent, Edward H., Bushuyev, Oleksandr S., Gabardo, Christine M., Burdyny, Thomas, Edwards, Jonathan P., Sinton, David, Kelley, Shana O.

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Functional Synthetic Model for the Lanthanide-Dependent Quinoid Alcohol Dehydrogenase Active Site. by McSkimming, Alex, Cheisson, Thibault, Carroll, Patrick J., Schelter, Eric J.

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On-Surface Cyclization of ortho-Dihalotetracenes to Four- and Six-Membered Rings. by Sánchez-Sánchez, Carlos, Nicolaï, Adrien, Rossel, Frédéric, Jinming Cai, Junzhi Liu, Xinliang Feng, Müllen, Klaus, Ruffieux, Pascal, Fasel, Roman, Meunier, Vincent

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Electronically Transparent Au--N Bonds for Molecular Junctions. by Yaping Zang, Pinkard, Andrew, Zhen-Fei Liu, Neaton, Jeffrey B., Steigerwald, Michael L., Roy, Xavier, Venkataraman, Latha

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Bromide Photo-oxidation Sensitized to Visible Light in Consecutive Ion Pairs. by Guocan Li, Swords, Wesley B., Meyer, Gerald J.

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A N-Heterocyclic Carbene-Stabilized Coinage Metal-Chalcogenide Framework with Tunable Optical Properties. by Polgar, Alexander M., Weigend, Florian, Zhang, Angel, Stillman, Martin J., Corrigan, John F.

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Finite Size Effects in Submonolayer Catalysts Investigated by CO Electrosorption on Pt/Pd(100). by Qiuyi Yuan, Doan, Hieu A., Grabow, Lars C., Brankovic, Stanko R.

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