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Advances and Promises of Layered Halide Hybrid Perovskite Semiconductors
Pedesseau, Laurent, Sapori, Daniel, Traore, Boubacar, Robles, Roberto, Fang, Hong-Hua, Loi, Maria Antonietta, Tsai, Hsinhan, Nie, Wanyi, Blancon, Jean-Christophe, Neukirch, Amanda, Tretiak, Sergei, Mohite, Aditya D, Katan, Claudine, Even, Jacky, Kepenekian, Mikaël
Published in ACS nano (22.11.2016)
Published in ACS nano (22.11.2016)
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density-functional theory
Published in A Dictionary of Chemistry
(19.03.2020)
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Selective Electrochemical Capture of Monovalent Cations Using Crown Ether-Functionalized COFs
Jiang, Dong, Hill, Jonathan P., Henzie, Joel, Nam, Ho Ngoc, Phung, Quan Manh, Zhu, Liyang, Wang, Jie, Xia, Wei, Zhao, Yingji, Kang, Yunqing, Asahi, Toru, Bu, Ran, Xu, Xingtao, Yamauchi, Yusuke
Published in Journal of the American Chemical Society (16.04.2025)
Published in Journal of the American Chemical Society (16.04.2025)
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Approaching the Basis Set Limit in Density Functional Theory Calculations Using Dual Basis Sets without Diagonalization
Liang, Head-Gordon, Martin
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (15.04.2004)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (15.04.2004)
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On the aqueous solvation of AsO(OH)3vs. As(OH)3. Born-Oppenheimer molecular dynamics density functional theory cluster studiesElectronic supplementary information (ESI) available: Graphs showing the convergence of the vibrational spectra, images illustrating the frames of reference to define the lower and upper hemispheres used in the analysis of the hydration patterns, graphs with the cumulative numbers of oxygens, ∑NO(r), and hydrogens ∑NH(r), and graphs where the As-O distances are depicted.
Ramírez-Solís, A, Amaro-Estrada, J. I, León-Pimentel, C. I, Hernández-Cobos, J, Garrido-Hoyos, S. E, Saint-Martin, H
Year of Publication 20.06.2018
Year of Publication 20.06.2018
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Palladium-Alloy Membrane Reactors for Fuel Reforming and Hydrogen Production: A Review
Habib, Mohamed A, Harale, Aadesh, Paglieri, Stephen, Alrashed, Firas S, Al-Sayoud, Abduljabar, Rao, Manga Venkateswara, Nemitallah, Medhat A, Hossain, Shorab, Hussien, Muzafar, Ali, Asif, Haque, M. A, Abuelyamen, Ahmed, Shakeel, Mohammad Raghib, Mokheimer, Esmail M. A, Ben-Mansour, Rached
Published in Energy & fuels (01.04.2021)
Published in Energy & fuels (01.04.2021)
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Isolation, Reactivity, and Tunable Properties of a Strained Antiaromatic Osmacycle
Li, Qian, Hua, Yuhui, Tang, Chun, Chen, Dafa, Luo, Ming, Xia, Haiping
Published in Journal of the American Chemical Society (05.04.2023)
Published in Journal of the American Chemical Society (05.04.2023)
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Multifunctional Zinc Oxide Promotes Electrochemiluminescence of Porphyrin Aggregates for Ultrasensitive Detection of Copper Ion
Han, Qian, Wang, Cun, Li, Zhuozhe, Wu, Jingling, Liu, Ping kun, Mo, Fangjing, Fu, Yingzi
Published in Analytical chemistry (Washington) (18.02.2020)
Published in Analytical chemistry (Washington) (18.02.2020)
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Selective Separation of Lithium Chloride by Organogels Containing Strapped Calix[4]pyrroles
Wang, Hu, Jones, Leighton O, Hwang, Inhong, Allen, Marshall J, Tao, Daliao, Lynch, Vincent M, Freeman, Benny D, Khashab, Niveen M, Schatz, George C, Page, Zachariah A, Sessler, Jonathan L
Published in Journal of the American Chemical Society (08.12.2021)
Published in Journal of the American Chemical Society (08.12.2021)
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In Situ Identification of Reaction Intermediates and Mechanistic Understandings of Methane Oxidation over Hematite: A Combined Experimental and Theoretical Study
He, Yulian, Guo, Facheng, Yang, Ke R, Heinlein, Jake A, Bamonte, Scott M, Fee, Jared J, Hu, Shu, Suib, Steven L, Haller, Gary L, Batista, Victor S, Pfefferle, Lisa D
Published in Journal of the American Chemical Society (07.10.2020)
Published in Journal of the American Chemical Society (07.10.2020)
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Combined Theoretical and Experimental Studies of Nickel-Catalyzed Cross-Coupling of Methoxyarenes with Arylboronic Esters via C–O Bond Cleavage
Schwarzer, Martin C, Konno, Ryosuke, Hojo, Takayuki, Ohtsuki, Akimichi, Nakamura, Keisuke, Yasutome, Ayaka, Takahashi, Hiroaki, Shimasaki, Toshiaki, Tobisu, Mamoru, Chatani, Naoto, Mori, Seiji
Published in Journal of the American Chemical Society (02.08.2017)
Published in Journal of the American Chemical Society (02.08.2017)
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Pyrolysis mechanism of spent LIBs separator and catalytic effect of metal foils: Insights from combined experimental and DFT studies
Tao, Ran, Wu, Yufeng, Zhao, Lijuan, Li, Bin, Yuan, Haoran, Gu, Jing, Chen, Yong
Published in Polymer degradation and stability (01.07.2025)
Published in Polymer degradation and stability (01.07.2025)
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Symmetry-enforced topological nodal planes at the Fermi surface of a chiral magnet
Wilde, Marc A., Dodenhöft, Matthias, Niedermayr, Arthur, Bauer, Andreas, Hirschmann, Moritz M., Alpin, Kirill, Schnyder, Andreas P., Pfleiderer, Christian
Published in Nature (London) (17.06.2021)
Published in Nature (London) (17.06.2021)
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