FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W3100487360> ?p ?o ?g. }

• W3100487360 endingPage "10698" @default.
• W3100487360 startingPage "10687" @default.
• W3100487360 abstract "The aqueous ferrous-ferric system provides a classic example of an electron-transfer process in solution. There has been a long standing argument spanning more than three decades around the importance of nuclear tunnelling in this system, with estimates based on Wolynes theory suggesting a quantum correction factor of 65, while estimates based on a related spin-boson model suggest a smaller factor of 7-36. Recently, we have shown that Wolynes theory can break down for systems with multiple transition states leading to an overestimation of the rate, and we suggest that a liquid system such as the one investigated here may be particularly prone to this. We re-investigate this old yet interesting system with the first application of the recently developed golden-rule quantum transition-state theory (GR-QTST). We find that GR-QTST can be applied to this complex system without apparent difficulties and that it gives a prediction for the quantum rate 6 times smaller than that from Wolynes theory. The fact that these theories give different results suggests that although it is well known that the system can be treated using linear response and therefore resembles a spin-boson model in the classical limit, this approximation is questionable in the quantum case. It also intriguingly suggests the possibility that the previous predictions were overestimating the rate due to a break down of Wolynes theory." @default.
• W3100487360 created "2020-11-23" @default.
• W3100487360 creator A5032780136 @default.
• W3100487360 creator A5037124074 @default.
• W3100487360 creator A5056570742 @default.
• W3100487360 date "2020-01-01" @default.
• W3100487360 modified "2023-09-26" @default.
• W3100487360 title "Revisiting nuclear tunnelling in the aqueous ferrous–ferric electron transfer" @default.
• W3100487360 cites W1481590908 @default.
• W3100487360 cites W1555712370 @default.
• W3100487360 cites W1964568606 @default.
• W3100487360 cites W1966165119 @default.
• W3100487360 cites W1972345570 @default.
• W3100487360 cites W1983646496 @default.
• W3100487360 cites W1984135072 @default.
• W3100487360 cites W1997680438 @default.
• W3100487360 cites W1999411253 @default.
• W3100487360 cites W2001883528 @default.
• W3100487360 cites W2002666262 @default.
• W3100487360 cites W2010889392 @default.
• W3100487360 cites W2013032090 @default.
• W3100487360 cites W2017158178 @default.
• W3100487360 cites W2019012502 @default.
• W3100487360 cites W2019465613 @default.
• W3100487360 cites W2019538235 @default.
• W3100487360 cites W2023616314 @default.
• W3100487360 cites W2024841525 @default.
• W3100487360 cites W2027743806 @default.
• W3100487360 cites W2030139219 @default.
• W3100487360 cites W2031904472 @default.
• W3100487360 cites W2032224966 @default.
• W3100487360 cites W2042612222 @default.
• W3100487360 cites W2047224922 @default.
• W3100487360 cites W2047923227 @default.
• W3100487360 cites W204885769 @default.
• W3100487360 cites W2049475242 @default.
• W3100487360 cites W2049633097 @default.
• W3100487360 cites W2056288284 @default.
• W3100487360 cites W2058567187 @default.
• W3100487360 cites W2064759498 @default.
• W3100487360 cites W2066556212 @default.
• W3100487360 cites W2069246607 @default.
• W3100487360 cites W2069395328 @default.
• W3100487360 cites W2070951586 @default.
• W3100487360 cites W2072378985 @default.
• W3100487360 cites W2073755542 @default.
• W3100487360 cites W2075929048 @default.
• W3100487360 cites W2077501220 @default.
• W3100487360 cites W2078982735 @default.
• W3100487360 cites W2088236433 @default.
• W3100487360 cites W2091237955 @default.
• W3100487360 cites W2093115355 @default.
• W3100487360 cites W2094742025 @default.
• W3100487360 cites W2105533397 @default.
• W3100487360 cites W2144870776 @default.
• W3100487360 cites W2262077562 @default.
• W3100487360 cites W2313769408 @default.
• W3100487360 cites W2314762912 @default.
• W3100487360 cites W2330273216 @default.
• W3100487360 cites W2380593613 @default.
• W3100487360 cites W2397528464 @default.
• W3100487360 cites W2470454081 @default.
• W3100487360 cites W2751055753 @default.
• W3100487360 cites W2758808277 @default.
• W3100487360 cites W2766688930 @default.
• W3100487360 cites W2775452999 @default.
• W3100487360 cites W2789857314 @default.
• W3100487360 cites W2804691503 @default.
• W3100487360 cites W2805077534 @default.
• W3100487360 cites W2806422408 @default.
• W3100487360 cites W2883214510 @default.
• W3100487360 cites W2915435022 @default.
• W3100487360 cites W2949403008 @default.
• W3100487360 cites W2974834005 @default.
• W3100487360 cites W2975572185 @default.
• W3100487360 cites W2979903234 @default.
• W3100487360 cites W2992621810 @default.
• W3100487360 cites W2999603727 @default.
• W3100487360 cites W3021518424 @default.
• W3100487360 cites W308487888 @default.
• W3100487360 cites W3098265638 @default.
• W3100487360 cites W3099366346 @default.
• W3100487360 cites W3100635991 @default.
• W3100487360 cites W3100667422 @default.
• W3100487360 cites W3100983583 @default.
• W3100487360 cites W3102998766 @default.
• W3100487360 cites W3103643738 @default.
• W3100487360 cites W3105094965 @default.
• W3100487360 cites W3105833190 @default.
• W3100487360 cites W4212834654 @default.
• W3100487360 cites W4256172841 @default.
• W3100487360 doi "https://doi.org/10.1039/c9cp06841d" @default.
• W3100487360 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/32091068" @default.
• W3100487360 hasPublicationYear "2020" @default.
• W3100487360 type Work @default.
• W3100487360 sameAs 3100487360 @default.
• W3100487360 citedByCount "5" @default.
• W3100487360 countsByYear W31004873602020 @default.

• next