Chem. Sci., 2023, Advance Article
DOI: 10.1039/D3SC02581K, Edge Article

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Thomas Plé, Louis Lagardère, Jean-Philip Piquemal
We introduce FENNIX (Force-Field-Enhanced Neural Network InteraXions), a hybrid approach between machine-learning and force-fields.
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Chem. Sci., 2023, Advance Article
DOI: 10.1039/D3SC03992G, Edge Article

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César Barrales-Martínez, Rocío Durán, Pablo Jaque
The condensed-to-boron electrophilicity index (ω_B) is a tunable property to rationally perform modifications for reaching reversibility in H₂ activation by intramolecular aminoborane frustrated Lewis pairs.
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Chem. Sci., 2023, Advance Article
DOI: 10.1039/D3SC03493C, Edge Article

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Xiaoni Wang, Xiyang Ge, Xiaowen Guan, Jin Ouyang, Na Na
A DNA nanocomplex of Ca@DNA–MF was successfully prepared for synergistic three-channel mitochondrial depolarization via synergistically remodulating H⁺/Ca²⁺ gradients, providing a synergistic strategy for enhanced cancer therapy with low toxicity.
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Chem. Sci., 2023, Advance Article
DOI: 10.1039/D3SC02722H, Edge Article

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Shujing Huang, Min Ji, Yong Wang, Ye Tian
The anisotropic E-octa DNA origami frames with non-specific connections are crystallized to form simple cubic and simple tetragonal superlattices by conducting multiple annealing processes and increasing the rigidity of the connections.
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Chem. Sci., 2023, Advance Article
DOI: 10.1039/D3SC03317A, Edge Article

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Shuaiqiang Jia, Qinggong Zhu, Shitao Han, Jianxin Zhai, Mengke Dong, Wei Xia, Xueqing Xing, Haihong Wu, Mingyuan He, Buxing Han
The excellent performance of porous Cu/Zn electrodes can be attributed to rapid mass/ion diffusion, and the electronic effect between Zn and Cu lowers the energy barrier for *COOH formation on the active sites, facilitating CO generation.
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Chem. Sci., 2023, Accepted Manuscript
DOI: 10.1039/D3SC03780K, Perspective

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Marcella Bonchio, Thomas Gobbato, Giulia Alice Volpato, Andrea Sartorel
The conversion of light into chemical energy is the game-changer enabling technology for the energetic transition to renewable and clean solar fuels. The photochemistry of interest includes the overall reductive/oxidative...
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Chem. Sci., 2023, Advance Article
DOI: 10.1039/D3SC03870J, Edge Article

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Ting Wang, Zheng Li, Hang Gao, Jun Hu, Hong-Yuan Chen, Jing-Juan Xu
Ultrafast C–C and C–N bond formation reactions in water microdroplets were facilitated by the spontaneous generation of carbocations, requiring no use of low pH, elevated temperature, strong oxidants and/or expensive noble-metal catalysts.
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Chem. Sci., 2023, Advance Article
DOI: 10.1039/D3SC02195E, Edge Article

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Kentaro Kadota, Tianyang Chen, Eoghan L. Gormley, Christopher H. Hendon, Mircea Dincă, Carl K. Brozek
Covalent metal-linker bonds greatly enhance the conductivity of hybrid organic–inorganic materials.
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Chem. Sci., 2023, Advance Article
DOI: 10.1039/D3SC03281G, Edge Article

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Daisuke Igarashi, Ryoichi Tatara, Ryusei Fujimoto, Tomooki Hosaka, Shinichi Komaba
The electrochemical intercalation of Rb into graphite and low-crystalline carbons was demonstrated. It was confirmed that stage-1 RbC₈ was formed in the low-potential region close to the Rb plating potential (Rb⁺/Rb) in non-aqueous electrolytes.
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Chem. Sci., 2023, Advance Article
DOI: 10.1039/D3SC03222A, Edge Article

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Karan Goyal, Garrett A. Kukier, Xiangyang Chen, Aneta Turlik, K. N. Houk, Richmond Sarpong
A transformation of spiro[4.4]nonatrienes to aryl-substituted, enantioenriched annulated fulvenes is reported. DFT calculations and empirical results support a novel mechanism of reaction involving a 1,5-vinyl shift from a vinyl–palladium species.
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