Matches in SemOpenAlex for { <https://semopenalex.org/work/W2020003535> ?p ?o ?g. }
- W2020003535 endingPage "537" @default.
- W2020003535 startingPage "521" @default.
- W2020003535 abstract "Molecular dynamics simulations are carried out for model electronically adiabatic electron transfer (ET) reactions. The reactants are immersed in various model dipolar aprotic solvents, ranging from slightly overdamped to strongly overdamped. In all cases, the solvent barrier recrossings which give the solvent dynamical influence on the ET rate are determined by motion in the barrier top region, and not in the solvent wells as some current notions would have it. The MD reaction transmission coefficients are reproduced by Grote-Hynes theory to within the simulation error bars, while other analytic descriptions such as Zusman theory (in its range of applicability) and Kramers theory are less satisfactory, and fail significantly in the overdamped solvent regime. The reasons for these results as well as their implications for the interpretation of adiabatic ET rates are briefly discussed." @default.
- W2020003535 created "2016-06-24" @default.
- W2020003535 creator A5000113075 @default.
- W2020003535 creator A5049840657 @default.
- W2020003535 creator A5084158142 @default.
- W2020003535 date "1993-10-01" @default.
- W2020003535 modified "2023-09-27" @default.
- W2020003535 title "Well and barrier dynamics and electron transfer rates. A molecular dynamics study" @default.
- W2020003535 cites W1534775733 @default.
- W2020003535 cites W1963791150 @default.
- W2020003535 cites W1966616271 @default.
- W2020003535 cites W1966900623 @default.
- W2020003535 cites W1967541387 @default.
- W2020003535 cites W1971681728 @default.
- W2020003535 cites W1974037574 @default.
- W2020003535 cites W1976891465 @default.
- W2020003535 cites W1977236278 @default.
- W2020003535 cites W1977886132 @default.
- W2020003535 cites W1978100566 @default.
- W2020003535 cites W1978205483 @default.
- W2020003535 cites W1980996086 @default.
- W2020003535 cites W1983663688 @default.
- W2020003535 cites W1993473620 @default.
- W2020003535 cites W1995526074 @default.
- W2020003535 cites W1999270898 @default.
- W2020003535 cites W2001270915 @default.
- W2020003535 cites W2001955511 @default.
- W2020003535 cites W2002164208 @default.
- W2020003535 cites W2006876799 @default.
- W2020003535 cites W2010703720 @default.
- W2020003535 cites W2012116438 @default.
- W2020003535 cites W2013001244 @default.
- W2020003535 cites W2013329559 @default.
- W2020003535 cites W2014295466 @default.
- W2020003535 cites W2015659061 @default.
- W2020003535 cites W2016090732 @default.
- W2020003535 cites W2016293814 @default.
- W2020003535 cites W2017196167 @default.
- W2020003535 cites W2018358805 @default.
- W2020003535 cites W2018403528 @default.
- W2020003535 cites W2018532993 @default.
- W2020003535 cites W2020600483 @default.
- W2020003535 cites W2022231452 @default.
- W2020003535 cites W2022958344 @default.
- W2020003535 cites W2023194376 @default.
- W2020003535 cites W2023943543 @default.
- W2020003535 cites W2028761393 @default.
- W2020003535 cites W2028763902 @default.
- W2020003535 cites W2033720846 @default.
- W2020003535 cites W2039959895 @default.
- W2020003535 cites W2041463653 @default.
- W2020003535 cites W2041622525 @default.
- W2020003535 cites W2041753261 @default.
- W2020003535 cites W2041931011 @default.
- W2020003535 cites W2043965635 @default.
- W2020003535 cites W2044380878 @default.
- W2020003535 cites W2046286471 @default.
- W2020003535 cites W2048585269 @default.
- W2020003535 cites W2051320909 @default.
- W2020003535 cites W2054022380 @default.
- W2020003535 cites W2056288284 @default.
- W2020003535 cites W2058455889 @default.
- W2020003535 cites W2062673661 @default.
- W2020003535 cites W2070870036 @default.
- W2020003535 cites W2070899568 @default.
- W2020003535 cites W2073543532 @default.
- W2020003535 cites W2074768610 @default.
- W2020003535 cites W2076004384 @default.
- W2020003535 cites W2076851909 @default.
- W2020003535 cites W2076960131 @default.
- W2020003535 cites W2077444299 @default.
- W2020003535 cites W2083088477 @default.
- W2020003535 cites W2083882508 @default.
- W2020003535 cites W2084513255 @default.
- W2020003535 cites W2085059324 @default.
- W2020003535 cites W2085266415 @default.
- W2020003535 cites W2086223339 @default.
- W2020003535 cites W2086864852 @default.
- W2020003535 cites W2087551836 @default.
- W2020003535 cites W2090089545 @default.
- W2020003535 cites W2091601979 @default.
- W2020003535 cites W2093701962 @default.
- W2020003535 cites W2094143671 @default.
- W2020003535 cites W2094324642 @default.
- W2020003535 cites W2113274671 @default.
- W2020003535 cites W2118997899 @default.
- W2020003535 cites W2127737840 @default.
- W2020003535 cites W2142834594 @default.
- W2020003535 cites W2162488624 @default.
- W2020003535 cites W2171193351 @default.
- W2020003535 cites W2179123396 @default.
- W2020003535 cites W2491621419 @default.
- W2020003535 cites W2888544893 @default.
- W2020003535 cites W2949568463 @default.
- W2020003535 cites W2953236140 @default.
- W2020003535 cites W4249841422 @default.
- W2020003535 doi "https://doi.org/10.1016/0301-0104(93)80259-c" @default.
- W2020003535 hasPublicationYear "1993" @default.