Matches in SemOpenAlex for { <https://semopenalex.org/work/W2077222377> ?p ?o ?g. }
- W2077222377 endingPage "2101" @default.
- W2077222377 startingPage "2093" @default.
- W2077222377 abstract "We have studied the effect of fluctuating structural distortions on the efficiency of hole migration in some DNA double strands. Standard molecular dynamics (MD) simulations of DNA embedded in water have been performed over a time intervals of 40 ps. The MD study was followed by quantum chemical calculations of time-dependent electronic coupling between all the pairs of adjacent bases and by the subsequent evaluation of the fluctuating effective electronic coupling between donor and acceptor (HDA) guanine bases. A convenient parametrization of the coupling in terms of the overlap between the localized wave functions was found by a large number of ab initio calculations. The MD results show that HDA undergoes large fluctuations and that its quadratic average is 1 order of magnitude larger than its mean value. Furthermore, the MD analysis shows that the base-pair couplings are due predominantly to the transverse motions of the DNA strands, while longitudinal motions are surprisingly ineffective." @default.
- W2077222377 created "2016-06-24" @default.
- W2077222377 creator A5016312744 @default.
- W2077222377 creator A5089848606 @default.
- W2077222377 date "2002-02-01" @default.
- W2077222377 modified "2023-10-16" @default.
- W2077222377 title "Hole Migration in DNA: a Theoretical Analysis of the Role of Structural Fluctuations" @default.
- W2077222377 cites W1505726535 @default.
- W2077222377 cites W1587689256 @default.
- W2077222377 cites W1959245158 @default.
- W2077222377 cites W1965373089 @default.
- W2077222377 cites W1971092996 @default.
- W2077222377 cites W1975212381 @default.
- W2077222377 cites W1975532341 @default.
- W2077222377 cites W1976499671 @default.
- W2077222377 cites W1977482735 @default.
- W2077222377 cites W1978876412 @default.
- W2077222377 cites W1985247979 @default.
- W2077222377 cites W1993469717 @default.
- W2077222377 cites W1995016873 @default.
- W2077222377 cites W2006095327 @default.
- W2077222377 cites W2006418071 @default.
- W2077222377 cites W2010934369 @default.
- W2077222377 cites W2018691282 @default.
- W2077222377 cites W2019386043 @default.
- W2077222377 cites W2023693337 @default.
- W2077222377 cites W2026128357 @default.
- W2077222377 cites W2026241107 @default.
- W2077222377 cites W2028596009 @default.
- W2077222377 cites W2030631573 @default.
- W2077222377 cites W2035266068 @default.
- W2077222377 cites W2037155104 @default.
- W2077222377 cites W2037492053 @default.
- W2077222377 cites W2039015072 @default.
- W2077222377 cites W2039454548 @default.
- W2077222377 cites W2043733885 @default.
- W2077222377 cites W2046497217 @default.
- W2077222377 cites W2046827609 @default.
- W2077222377 cites W2048191679 @default.
- W2077222377 cites W2048644796 @default.
- W2077222377 cites W2055722662 @default.
- W2077222377 cites W2066055353 @default.
- W2077222377 cites W2067174909 @default.
- W2077222377 cites W2069808959 @default.
- W2077222377 cites W2070774414 @default.
- W2077222377 cites W2072013898 @default.
- W2077222377 cites W2073126970 @default.
- W2077222377 cites W2081990222 @default.
- W2077222377 cites W2083807065 @default.
- W2077222377 cites W2087766917 @default.
- W2077222377 cites W2090006025 @default.
- W2077222377 cites W2090685881 @default.
- W2077222377 cites W2093810900 @default.
- W2077222377 cites W2122199548 @default.
- W2077222377 cites W2124971943 @default.
- W2077222377 cites W2125675788 @default.
- W2077222377 cites W2127737840 @default.
- W2077222377 cites W2128172847 @default.
- W2077222377 cites W2134729831 @default.
- W2077222377 cites W2135186262 @default.
- W2077222377 cites W2135546649 @default.
- W2077222377 cites W2140319432 @default.
- W2077222377 cites W2156704435 @default.
- W2077222377 cites W2418869138 @default.
- W2077222377 cites W2610582314 @default.
- W2077222377 doi "https://doi.org/10.1021/jp0133182" @default.
- W2077222377 hasPublicationYear "2002" @default.
- W2077222377 type Work @default.
- W2077222377 sameAs 2077222377 @default.
- W2077222377 citedByCount "210" @default.
- W2077222377 countsByYear W20772223772012 @default.
- W2077222377 countsByYear W20772223772013 @default.
- W2077222377 countsByYear W20772223772014 @default.
- W2077222377 countsByYear W20772223772015 @default.
- W2077222377 countsByYear W20772223772016 @default.
- W2077222377 countsByYear W20772223772017 @default.
- W2077222377 countsByYear W20772223772018 @default.
- W2077222377 countsByYear W20772223772019 @default.
- W2077222377 countsByYear W20772223772020 @default.
- W2077222377 countsByYear W20772223772021 @default.
- W2077222377 countsByYear W20772223772022 @default.
- W2077222377 countsByYear W20772223772023 @default.
- W2077222377 crossrefType "journal-article" @default.
- W2077222377 hasAuthorship W2077222377A5016312744 @default.
- W2077222377 hasAuthorship W2077222377A5089848606 @default.
- W2077222377 hasConcept C104317684 @default.
- W2077222377 hasConcept C121332964 @default.
- W2077222377 hasConcept C127413603 @default.
- W2077222377 hasConcept C131584629 @default.
- W2077222377 hasConcept C147597530 @default.
- W2077222377 hasConcept C154954056 @default.
- W2077222377 hasConcept C159467904 @default.
- W2077222377 hasConcept C178790620 @default.
- W2077222377 hasConcept C185581394 @default.
- W2077222377 hasConcept C185592680 @default.
- W2077222377 hasConcept C191897082 @default.
- W2077222377 hasConcept C192562407 @default.
- W2077222377 hasConcept C202887219 @default.