Matches in SemOpenAlex for { <https://semopenalex.org/work/W4293585877> ?p ?o ?g. }
- W4293585877 abstract "Structural prediction of thiolate-protected gold nanoclusters (AuNCs) with diverse charge states can enrich the understanding of this species. Untill now, the number of anion AuNCs is still deficient. In this work, a series of gold nanoclusters with negative total charge, including [Au28(SR)17]-, [Au35(SR)20]-, [Au42(SR)23]-, [Au49(SR)26]-, and [Au56(SR)29]-, are designed. Following a crystallized [Au23(SR)16]- prototype structure, the inner core of the newly predicted clusters is obtained through packing crossed Au7. Next, proper protecting thiolate ligands are arranged to fulfill the duet rule to obtain Au3(2e) and Au4(2e). Extensive analysis indicates that these clusters own high stabilities. Molecular orbital analysis shows that the orbitals for the populations of the valence electron locate at each Au3(2e) and Au4(2e), which demonstrates the reliability of the grand unified model. This work should be helpful for enriching the structural diversity of AuNCs." @default.
- W4293585877 created "2022-08-30" @default.
- W4293585877 creator A5009048476 @default.
- W4293585877 creator A5043582248 @default.
- W4293585877 creator A5064540523 @default.
- W4293585877 creator A5065637476 @default.
- W4293585877 date "2022-09-23" @default.
- W4293585877 modified "2023-09-30" @default.
- W4293585877 title "Structural prediction of anion thiolate protected gold clusters of [Au28+7n(SR)17+3n]− (n = 0–4)" @default.
- W4293585877 cites W179471644 @default.
- W4293585877 cites W1806907900 @default.
- W4293585877 cites W1827320018 @default.
- W4293585877 cites W1989507465 @default.
- W4293585877 cites W2010710144 @default.
- W4293585877 cites W2011703668 @default.
- W4293585877 cites W2011932437 @default.
- W4293585877 cites W2012860474 @default.
- W4293585877 cites W2019782687 @default.
- W4293585877 cites W2024854660 @default.
- W4293585877 cites W2046604198 @default.
- W4293585877 cites W2066286007 @default.
- W4293585877 cites W2066778093 @default.
- W4293585877 cites W2073578942 @default.
- W4293585877 cites W2108299472 @default.
- W4293585877 cites W2129647888 @default.
- W4293585877 cites W2132525235 @default.
- W4293585877 cites W2137976653 @default.
- W4293585877 cites W2140537016 @default.
- W4293585877 cites W2172805116 @default.
- W4293585877 cites W2276776307 @default.
- W4293585877 cites W2294013909 @default.
- W4293585877 cites W2297573337 @default.
- W4293585877 cites W2317028947 @default.
- W4293585877 cites W2317207800 @default.
- W4293585877 cites W2318142641 @default.
- W4293585877 cites W2321455216 @default.
- W4293585877 cites W2326796654 @default.
- W4293585877 cites W2329381466 @default.
- W4293585877 cites W2341803941 @default.
- W4293585877 cites W2415086071 @default.
- W4293585877 cites W2466319735 @default.
- W4293585877 cites W2474256331 @default.
- W4293585877 cites W2516535037 @default.
- W4293585877 cites W2522095149 @default.
- W4293585877 cites W2553807561 @default.
- W4293585877 cites W2557437977 @default.
- W4293585877 cites W2572758671 @default.
- W4293585877 cites W2581176006 @default.
- W4293585877 cites W2593954958 @default.
- W4293585877 cites W2758497681 @default.
- W4293585877 cites W2779385583 @default.
- W4293585877 cites W2789856251 @default.
- W4293585877 cites W2799702761 @default.
- W4293585877 cites W2803960605 @default.
- W4293585877 cites W2889882977 @default.
- W4293585877 cites W2895205713 @default.
- W4293585877 cites W2900016927 @default.
- W4293585877 cites W2903577746 @default.
- W4293585877 cites W2911587278 @default.
- W4293585877 cites W2918612296 @default.
- W4293585877 cites W2924152529 @default.
- W4293585877 cites W2960779520 @default.
- W4293585877 cites W2965785617 @default.
- W4293585877 cites W2981099968 @default.
- W4293585877 cites W2998577358 @default.
- W4293585877 cites W3005305256 @default.
- W4293585877 cites W3014215883 @default.
- W4293585877 cites W3034310241 @default.
- W4293585877 cites W3038823436 @default.
- W4293585877 cites W3039513751 @default.
- W4293585877 cites W3047178991 @default.
- W4293585877 cites W3047679562 @default.
- W4293585877 cites W3092623765 @default.
- W4293585877 cites W3103958924 @default.
- W4293585877 cites W3114437310 @default.
- W4293585877 cites W3175968111 @default.
- W4293585877 cites W3184324553 @default.
- W4293585877 cites W3192729178 @default.
- W4293585877 cites W4210784814 @default.
- W4293585877 cites W4228999340 @default.
- W4293585877 cites W4243928272 @default.
- W4293585877 doi "https://doi.org/10.1063/5.0105226" @default.
- W4293585877 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/36182431" @default.
- W4293585877 hasPublicationYear "2022" @default.
- W4293585877 type Work @default.
- W4293585877 citedByCount "2" @default.
- W4293585877 countsByYear W42935858772023 @default.
- W4293585877 crossrefType "journal-article" @default.
- W4293585877 hasAuthorship W4293585877A5009048476 @default.
- W4293585877 hasAuthorship W4293585877A5043582248 @default.
- W4293585877 hasAuthorship W4293585877A5064540523 @default.
- W4293585877 hasAuthorship W4293585877A5065637476 @default.
- W4293585877 hasConcept C121332964 @default.
- W4293585877 hasConcept C139358910 @default.
- W4293585877 hasConcept C145148216 @default.
- W4293585877 hasConcept C147120987 @default.
- W4293585877 hasConcept C159467904 @default.
- W4293585877 hasConcept C168900304 @default.
- W4293585877 hasConcept C171250308 @default.
- W4293585877 hasConcept C178790620 @default.