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• W2007089345 abstract "In this manuscript we report high-level ab initio (RI-MP2(full)/6-31++G**) and DFT (B3LYP/ 6-31++G** and MPWB1K/6-31++G**) calculations on complexes between the bis(arene)chromium complex (η6-C6H6)(η6C6F6)Cr(0) (1) and cations/anions. This interesting molecule 1, which is synthetically available, exhibits a dual binding mode to anions and cations, with interaction energies similar to those previously reported for benzene with cations and hexafluorobenzene with anions. In addition, the simultaneous interaction with cations and anions is also studied." @default.
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• W2007089345 date "2007-03-31" @default.
• W2007089345 modified "2023-10-07" @default.
• W2007089345 title "Dual Cation and Anion Acceptor Molecules. The Case of the (η⁶-C₆H₆)(η⁶C₆F₆)Cr(0) Complex" @default.
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• W2007089345 doi "https://doi.org/10.1021/jp070324a" @default.
• W2007089345 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/17397144" @default.
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