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- W2912999053 abstract "Abstract Metal‐metal triple bonds featuring s ‐block element have not been reported until now. Only Be−Be double bonds between have been predicted theoretically based on the intuitive electron donation from four s 1 type electron‐donating ligands. Herein, we theoretically predicted a novel species featuring a Be−Be triple bond in the Li 6 Be 2 molecule. The molecule was found to be thermodynamically stable. The presence of the triple bond was confirmed by adaptive natural density partitioning (AdNDP), electron localization function (ELF), and atoms in molecules (AIM) analyses. Moreover, the mechanical strength of the Be−Be triple bond was analyzed by using compliance matrix, pointing towards its ultra‐weak nature." @default.
- W2912999053 created "2019-02-21" @default.
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- W2912999053 date "2019-02-01" @default.
- W2912999053 modified "2023-09-30" @default.
- W2912999053 title "Ultra-Weak Metal−Metal Bonding: Is There a Beryllium-Beryllium Triple Bond?" @default.
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- W2912999053 doi "https://doi.org/10.1002/cphc.201900051" @default.
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