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Size matching and electrostatic potential as complementary methods for understanding the metallic cluster configurations inside fullerenes
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UN@C2(13)-C84: A Diatomic Cluster with a U≡N Triple Bond inside a C84 Fullerene Cage
4个月前
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Charge self-regulation upon changing the oxidation state of transition metals in insulators
4个月前
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Fullerene cation-mediated demethylation/cyclization to give 5- and 7-membered cyclo[60]fullerene derivatives
5个月前
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Triethylsulfonium-based ionic liquids enforce lithium salt electrolytes
5个月前
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Unique cation–cyclohexane interactions in tri- and hexa-fluorocyclohexane multidecker complexes in the gas phase: a DFT study
5个月前
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Impact of fluorination and chlorination on the electronic structure, topology and in-plane ring normal modes of pyridines
5个月前
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Towards a quantitative description of excitonic couplings in photosynthetic pigment–protein complexes: quantum chemistry driven multiscale approaches
5个月前
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Electrostatic complementarity in pseudoreceptor modeling based on drug molecule crystal structures: the case of loxistatin acid (E64c)
5个月前
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In silico analysis of interaction pattern switching in ligand⋯receptor binding in Golgi α-mannosidase II induced by the protonated states of inhibitors
5个月前
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