adf:paperofadf
ADF案例精选:分子、团簇体系第一性原理计算
2024
Enantiopure [6]-Azairidahelicene by Dynamic Kinetic Resolution of a Configurationally Labile [4]-Helicene, Angew. Chem. Int. Ed. 2024, e202406663, DOI:
10.1002/anie.202406663
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两种拓扑异构体的故事:调整$[Fe^{IV}(O)(Me_4cyclam)]^{2+}$用于烯烃环氧化, Proceedings of the National Academy of Sciences of the United States of America, 2024, DOI:
10.1073/pnas.2319799121
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Attosecond metrology of the two-dimensional charge distribution in molecules,Nature Physics, 2024, DOI:
10.1038/s41567-024-02406-2
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【香港大学支志明教授课题组】多核d$^{10}$金属团簇中的各向异性金属-金属泡利排斥,J. Phys. Chem. Lett. 2024, 15, XXX,
2193–2201
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Assignment of individual structures from intermetalloid nickel gallium cluster ensembles, Communications Chemistry ,2024, volume 7, Article number: 29, DOI:
10.1038/s42004-024-01110-9
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Advances in heavy alkaline earth chemistry provide insight into complexation of weakly polarizing Ra2+, Ba2+, and Sr2+ cations, Sci. Adv., 2024, 5 Jan 2024, Vol 10, Issue 1, DOI:
10.1126/sciadv.adj8765
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2023
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$^{13}C_{carben}$ NMR 化学位移分析确认铈(IV)-二膦亚烷基中Ce$^{IV}$=C双键, Chem. Sci., 2024, DOI:
10.1039/D3SC04449A
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Single─Not Double─3D-Aromaticity in an Oxidized Closo Icosahedral Dodecaiodo-Dodecaborate Cluster, JACS, 2023, DOI:
10.1021/jacs.3c07335
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Lewis Acid Probe for Basicity of Sulfide Electrolytes Investigated by 11B Solid-State NMR, JACS Au 2023, DOI:
10.1021/jacsau.3c00242
Low-dimensional nanomaterials for nanofluids: a review of heat transfer enhancement, Journal of Thermal Analysis and Calorimetry, 2023, DOI:
10.1007/s10973-023-12372-1
Synthesis of Plasmonic W18O49 Interconnected Nanowire Frameworks with Strong Photo Enhanced Hydrogen Evolution Reaction Activity, Materials Today Sustainability, 2023, 100485, DOI:
10.1016/j.mtsust.2023.100485
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C–S Couplings Catalyzed by Ni(II) Complexes of the Type [(NHC)Ni(Cp)(Br)],Journal of Catalysis,2023,DOI:
10.1016/j.jcat.2023.07.001
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Enantiopure J-Aggregate of Quaterrylene Bisimides for Strong Chiroptical NIR-Response, JACS, 2023, DOI:
10.1021/jacs.3c03367
Catalytic Enantioselective Intramolecular Oxa-Michael Reaction to α,β-Unsaturated Esters and Amides, JACS, 2023, DOI:
10.1021/jacs.3c03182
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Polyoxometalate–Polymer Hybrid Artificial Layers for Ultrastable and Reversible Zn Metal Anodes, Chemical Engineering Journal, 2023, 143644
Regioselective Derivatization of Silylated [20]Silafulleranes, JACS, 2023, DOI:
10.1021/jacs.3c03270
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手性结合艺术美,
Nature, 2023, volume 615, pages 418–424 (2023)
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2022
2021
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水相多酸的理论分析(Chemical Science 2020, J. Phys. Chem. A 2021)
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2020
更早
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【国内课题组】An unusual spin-polarized electron state in fullerene induced by the carbon adatom defect, D. Xu, Y. Gao, W. Jiang and Z. Wang, Nanoscale, 2017, DOI: 10.1039/C7NR02335A.
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adf/paperofadf.txt · 最后更改: 2024/04/28 20:00 由 liu.jun