FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2419617445> ?p ?o ?g. }

• W2419617445 abstract "Despite significant progress made in the past decades, it remains extremely challenging to investigate the dissociative chemisorption dynamics of molecular species on surfaces at a full-dimensional quantum mechanical level, in particular for polyatomic-surface reactions. Here we report, to the best of our knowledge, the first full-dimensional quantum dynamics study for the dissociative chemisorption of H2O on rigid Cu(111) with all the nine molecular degrees of freedom fully coupled, based on an accurate full-dimensional potential energy surface. The full-dimensional quantum mechanical reactivity provides the dynamics features with the highest accuracy, revealing that the excitations in vibrational modes of H2O are more efficacious than increasing the translational energy in promoting the reaction. The enhancement of the excitation in asymmetric stretch is the largest, but that of symmetric stretch becomes comparable at very low energies. The full-dimensional characterization also allows the investigation of the validity of previous reduced-dimensional and approximate dynamical models." @default.
• W2419617445 created "2016-06-24" @default.
• W2419617445 creator A5004521183 @default.
• W2419617445 creator A5006962853 @default.
• W2419617445 creator A5039069280 @default.
• W2419617445 creator A5041173223 @default.
• W2419617445 creator A5071859611 @default.
• W2419617445 date "2016-06-10" @default.
• W2419617445 modified "2023-10-16" @default.
• W2419617445 title "First-principles quantum dynamical theory for the dissociative chemisorption of H2O on rigid Cu(111)" @default.
• W2419617445 cites W1507146943 @default.
• W2419617445 cites W1630798802 @default.
• W2419617445 cites W1643019841 @default.
• W2419617445 cites W1659557533 @default.
• W2419617445 cites W1781229098 @default.
• W2419617445 cites W1896585659 @default.
• W2419617445 cites W1928220610 @default.
• W2419617445 cites W1953250330 @default.
• W2419617445 cites W1964429983 @default.
• W2419617445 cites W1964882117 @default.
• W2419617445 cites W1967491497 @default.
• W2419617445 cites W1970334998 @default.
• W2419617445 cites W1974445124 @default.
• W2419617445 cites W1976102082 @default.
• W2419617445 cites W1978383896 @default.
• W2419617445 cites W1982136386 @default.
• W2419617445 cites W1985722053 @default.
• W2419617445 cites W1993570586 @default.
• W2419617445 cites W1993603234 @default.
• W2419617445 cites W1998655688 @default.
• W2419617445 cites W1998971618 @default.
• W2419617445 cites W2000893465 @default.
• W2419617445 cites W2002425045 @default.
• W2419617445 cites W2007644390 @default.
• W2419617445 cites W2009162585 @default.
• W2419617445 cites W2009543130 @default.
• W2419617445 cites W2014749860 @default.
• W2419617445 cites W2020836715 @default.
• W2419617445 cites W2029973837 @default.
• W2419617445 cites W2040777690 @default.
• W2419617445 cites W2041650488 @default.
• W2419617445 cites W2048537440 @default.
• W2419617445 cites W2050149277 @default.
• W2419617445 cites W2050771003 @default.
• W2419617445 cites W2052542454 @default.
• W2419617445 cites W2054865547 @default.
• W2419617445 cites W2055533293 @default.
• W2419617445 cites W2059605663 @default.
• W2419617445 cites W2060050480 @default.
• W2419617445 cites W2061463267 @default.
• W2419617445 cites W2064499788 @default.
• W2419617445 cites W2070856307 @default.
• W2419617445 cites W2073475091 @default.
• W2419617445 cites W2074040552 @default.
• W2419617445 cites W2092673013 @default.
• W2419617445 cites W2102703392 @default.
• W2419617445 cites W2103357116 @default.
• W2419617445 cites W2137113302 @default.
• W2419617445 cites W2151632997 @default.
• W2419617445 cites W2159578679 @default.
• W2419617445 cites W2164142691 @default.
• W2419617445 cites W2173515739 @default.
• W2419617445 cites W2223968728 @default.
• W2419617445 cites W2276001021 @default.
• W2419617445 cites W2319886351 @default.
• W2419617445 cites W2322431331 @default.
• W2419617445 cites W2322974496 @default.
• W2419617445 cites W2331153119 @default.
• W2419617445 cites W4211131781 @default.
• W2419617445 cites W4245691578 @default.
• W2419617445 cites W4298864391 @default.
• W2419617445 doi "https://doi.org/10.1038/ncomms11953" @default.
• W2419617445 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/4906410" @default.
• W2419617445 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/27283908" @default.
• W2419617445 hasPublicationYear "2016" @default.
• W2419617445 type Work @default.
• W2419617445 sameAs 2419617445 @default.
• W2419617445 citedByCount "72" @default.
• W2419617445 countsByYear W24196174452016 @default.
• W2419617445 countsByYear W24196174452017 @default.
• W2419617445 countsByYear W24196174452018 @default.
• W2419617445 countsByYear W24196174452019 @default.
• W2419617445 countsByYear W24196174452020 @default.
• W2419617445 countsByYear W24196174452021 @default.
• W2419617445 countsByYear W24196174452022 @default.
• W2419617445 countsByYear W24196174452023 @default.
• W2419617445 crossrefType "journal-article" @default.
• W2419617445 hasAuthorship W2419617445A5004521183 @default.
• W2419617445 hasAuthorship W2419617445A5006962853 @default.
• W2419617445 hasAuthorship W2419617445A5039069280 @default.
• W2419617445 hasAuthorship W2419617445A5041173223 @default.
• W2419617445 hasAuthorship W2419617445A5071859611 @default.
• W2419617445 hasBestOaLocation W24196174451 @default.
• W2419617445 hasConcept C121332964 @default.
• W2419617445 hasConcept C125277925 @default.
• W2419617445 hasConcept C147789679 @default.
• W2419617445 hasConcept C150394285 @default.
• W2419617445 hasConcept C15184713 @default.
• W2419617445 hasConcept C159467904 @default.
• W2419617445 hasConcept C185592680 @default.

• next