Matches in SemOpenAlex for { <https://semopenalex.org/work/W1972942729> ?p ?o ?g. }
- W1972942729 abstract "A detailed experimental and theoretical investigation of the dynamics leading to fragmentation of doubly ionized molecular thiophene is presented. Dissociation of double-ionized molecules was induced by S $2p$ core photoionization and the ionic fragments were detected in coincidence with Auger electrons from the core-hole decay. Rich molecular dynamics was observed in electron-ion-ion coincidence maps exhibiting ring breaks accompanied by hydrogen losses and/or migration. The probabilities of various dissociation channels were seen to be very sensitive to the internal energy of the molecule. Theoretical simulations were performed by using the semiempirical self-consistent charge-density-functional tight-binding method. By running thousands of these simulations, the initial conditions encountered in the experiment were properly taken into account, including the systematic dependencies on the internal (thermal) energy. This systematic approach, not affordable with first-principle methods, provides a good overall description of the complex molecular dynamics observed in the experiment and shows good promise for applicability to larger molecules or clusters, thus opening the door to systematic investigations of complex dynamical processes occurring in radiation damage." @default.
- W1972942729 created "2016-06-24" @default.
- W1972942729 creator A5004856307 @default.
- W1972942729 creator A5009292857 @default.
- W1972942729 creator A5012640126 @default.
- W1972942729 creator A5013811560 @default.
- W1972942729 creator A5018334950 @default.
- W1972942729 creator A5021594683 @default.
- W1972942729 creator A5033347698 @default.
- W1972942729 creator A5038206478 @default.
- W1972942729 creator A5069696589 @default.
- W1972942729 creator A5088473252 @default.
- W1972942729 creator A5091247664 @default.
- W1972942729 date "2015-04-24" @default.
- W1972942729 modified "2023-10-18" @default.
- W1972942729 title "Internal energy dependence in x-ray-induced molecular fragmentation: An experimental and theoretical study of thiophene" @default.
- W1972942729 cites W1587930797 @default.
- W1972942729 cites W1976350031 @default.
- W1972942729 cites W1976960884 @default.
- W1972942729 cites W1980298982 @default.
- W1972942729 cites W1980543150 @default.
- W1972942729 cites W1994972108 @default.
- W1972942729 cites W1995239812 @default.
- W1972942729 cites W1996358236 @default.
- W1972942729 cites W2000733990 @default.
- W1972942729 cites W2006213223 @default.
- W1972942729 cites W2009412175 @default.
- W1972942729 cites W2022696619 @default.
- W1972942729 cites W2045018757 @default.
- W1972942729 cites W2050265108 @default.
- W1972942729 cites W2063440935 @default.
- W1972942729 cites W2066347451 @default.
- W1972942729 cites W2071360053 @default.
- W1972942729 cites W2076779659 @default.
- W1972942729 cites W2080053067 @default.
- W1972942729 cites W2083892505 @default.
- W1972942729 cites W2084534436 @default.
- W1972942729 cites W2092077040 @default.
- W1972942729 cites W2120190593 @default.
- W1972942729 cites W2139168187 @default.
- W1972942729 cites W2140405887 @default.
- W1972942729 cites W2145926643 @default.
- W1972942729 cites W2146790250 @default.
- W1972942729 cites W2321530812 @default.
- W1972942729 cites W2328181382 @default.
- W1972942729 cites W2334333825 @default.
- W1972942729 cites W4254008109 @default.
- W1972942729 doi "https://doi.org/10.1103/physreva.91.043417" @default.
- W1972942729 hasPublicationYear "2015" @default.
- W1972942729 type Work @default.
- W1972942729 sameAs 1972942729 @default.
- W1972942729 citedByCount "35" @default.
- W1972942729 countsByYear W19729427292015 @default.
- W1972942729 countsByYear W19729427292016 @default.
- W1972942729 countsByYear W19729427292017 @default.
- W1972942729 countsByYear W19729427292018 @default.
- W1972942729 countsByYear W19729427292019 @default.
- W1972942729 countsByYear W19729427292020 @default.
- W1972942729 countsByYear W19729427292021 @default.
- W1972942729 countsByYear W19729427292022 @default.
- W1972942729 countsByYear W19729427292023 @default.
- W1972942729 crossrefType "journal-article" @default.
- W1972942729 hasAuthorship W1972942729A5004856307 @default.
- W1972942729 hasAuthorship W1972942729A5009292857 @default.
- W1972942729 hasAuthorship W1972942729A5012640126 @default.
- W1972942729 hasAuthorship W1972942729A5013811560 @default.
- W1972942729 hasAuthorship W1972942729A5018334950 @default.
- W1972942729 hasAuthorship W1972942729A5021594683 @default.
- W1972942729 hasAuthorship W1972942729A5033347698 @default.
- W1972942729 hasAuthorship W1972942729A5038206478 @default.
- W1972942729 hasAuthorship W1972942729A5069696589 @default.
- W1972942729 hasAuthorship W1972942729A5088473252 @default.
- W1972942729 hasAuthorship W1972942729A5091247664 @default.
- W1972942729 hasBestOaLocation W19729427292 @default.
- W1972942729 hasConcept C102931765 @default.
- W1972942729 hasConcept C111919701 @default.
- W1972942729 hasConcept C121332964 @default.
- W1972942729 hasConcept C145148216 @default.
- W1972942729 hasConcept C147120987 @default.
- W1972942729 hasConcept C147789679 @default.
- W1972942729 hasConcept C158749347 @default.
- W1972942729 hasConcept C159467904 @default.
- W1972942729 hasConcept C184779094 @default.
- W1972942729 hasConcept C185544564 @default.
- W1972942729 hasConcept C185592680 @default.
- W1972942729 hasConcept C191015642 @default.
- W1972942729 hasConcept C198291218 @default.
- W1972942729 hasConcept C2182769 @default.
- W1972942729 hasConcept C2778734467 @default.
- W1972942729 hasConcept C2780646311 @default.
- W1972942729 hasConcept C32909587 @default.
- W1972942729 hasConcept C41008148 @default.
- W1972942729 hasConcept C41999313 @default.
- W1972942729 hasConcept C59593255 @default.
- W1972942729 hasConcept C62520636 @default.
- W1972942729 hasConceptScore W1972942729C102931765 @default.
- W1972942729 hasConceptScore W1972942729C111919701 @default.
- W1972942729 hasConceptScore W1972942729C121332964 @default.
- W1972942729 hasConceptScore W1972942729C145148216 @default.
- W1972942729 hasConceptScore W1972942729C147120987 @default.