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Showing 1 to 6 of 6 for “"Carbyne"”.
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Studies of Metathesis for Materials Applications: Present and Future Possibilities
… influence stability and reactivity in ruthenium carbynes. A classification system was developed in which Class A carbynes were defined as those that readily undergo conversion into an M=C entity (e.g. vinylidene, allenylidene, or alkylidene); Class B carbynes those that have a stable carbyne …
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A scalable machine learning approach to thermal and non-thermal order-disorder phase transitions with ab initio accuracy
… for water; • Vibrational physics of confined carbyne: an accurate machine learning interatomic po- tential is developed for confined carbyne and employed to reproduce its resonant Raman spectra, accounting for high-order phonon-phonon scattering processes via the stochastic self-consistent …
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The Chemistry of Triruthenium Hydrocarbyls (Metal Clusters)
… via intramolecular coupling of the carbyne ligand and a cluster-bound carbonyl. Hydrogenation of H(,2)Ru(,3)(CO)(,9)((mu)(,3)-CCO) yields H(,3)Ru(,3)(CO)(,9)((mu)(,3)-CH), demonstrating that this C-C coupling process is reversible.
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Computational Study of Carbon-Based Low-Dimensional Materials on Structures, Properties and Applications
… all in the 1D scenario, a comprehensive study on carbyne-one dimensional carbon chain-from its structure to properties has been conducted, and the extreme mechanical performance and intriguing metal-insulator transition under tension has been demonstrated. The properties of proposed 1D boron …
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Carbon Chemistry Of Giant Impacts
… more exotic mechanisms such as intermediary carbyne phases cannot be discounted. Impact diamonds, 1-5µm in size. were also identified in suevite residues and a black matrix lithic breccia from the Gardnos impact crater. Norway. The carbon isotopic compositions are in agreement with previous …
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Transformations of bridging ligands in diiron complexes: unconventional routes to new functionalized multisite bound organic frames
… between small unsaturated molecules and bridging carbyne ligands in diiron complexes to other species. In particular, we have investigated the coupling between olefins and thiocarbyne, leading to the synthesis of thioallylidene bridging diiron complexes. Then, we have extended the study to the …