Matches in SemOpenAlex for { <https://semopenalex.org/work/W2052342377> ?p ?o ?g. }
- W2052342377 abstract "X-ray absorption spectra have been determined for ethylene and free base phthalocyanine at the carbon K-edge with use of the complex polarization propagator method combined with Kohn–Sham density functional theory and the Coulomb attenuated method B3LYP exchange-correlation functional. Apart from isolated molecules, the study includes π-stacked systems of the phthalocyanine dimer and the ethylene dimer, trimer, tetramer, and pentamer. For ethylene, π-stacking involves a reduction in transition energy of the valence π∗-band by some 70 meV and large spectral changes (regarding also shape and intensity) of the Rydberg bands. For phthalocyanine, there are large spectral changes in the entire valence π∗-part of the spectrum." @default.
- W2052342377 created "2016-06-24" @default.
- W2052342377 creator A5014428406 @default.
- W2052342377 creator A5034879764 @default.
- W2052342377 creator A5074145338 @default.
- W2052342377 date "2009-03-12" @default.
- W2052342377 modified "2023-10-03" @default.
- W2052342377 title "Effects of π-stacking interactions on the near carbon K-edge x-ray absorption fine structure: A theoretical study of the ethylene pentamer and the phthalocyanine dimer" @default.
- W2052342377 cites W1971096119 @default.
- W2052342377 cites W1972486813 @default.
- W2052342377 cites W1975950215 @default.
- W2052342377 cites W1976636290 @default.
- W2052342377 cites W1981937122 @default.
- W2052342377 cites W1995750245 @default.
- W2052342377 cites W1996116301 @default.
- W2052342377 cites W2005705759 @default.
- W2052342377 cites W2008283894 @default.
- W2052342377 cites W2010300351 @default.
- W2052342377 cites W2022877109 @default.
- W2052342377 cites W2046412723 @default.
- W2052342377 cites W2052677190 @default.
- W2052342377 cites W2054149250 @default.
- W2052342377 cites W2062750963 @default.
- W2052342377 cites W2062852634 @default.
- W2052342377 cites W2068772993 @default.
- W2052342377 cites W2069006374 @default.
- W2052342377 cites W2074982591 @default.
- W2052342377 cites W2086569366 @default.
- W2052342377 cites W2092950113 @default.
- W2052342377 cites W2102014136 @default.
- W2052342377 cites W2129919603 @default.
- W2052342377 cites W2140886907 @default.
- W2052342377 cites W2143981217 @default.
- W2052342377 cites W4246814191 @default.
- W2052342377 doi "https://doi.org/10.1063/1.3079820" @default.
- W2052342377 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/19292532" @default.
- W2052342377 hasPublicationYear "2009" @default.
- W2052342377 type Work @default.
- W2052342377 sameAs 2052342377 @default.
- W2052342377 citedByCount "13" @default.
- W2052342377 countsByYear W20523423772012 @default.
- W2052342377 countsByYear W20523423772013 @default.
- W2052342377 countsByYear W20523423772014 @default.
- W2052342377 countsByYear W20523423772015 @default.
- W2052342377 countsByYear W20523423772016 @default.
- W2052342377 countsByYear W20523423772018 @default.
- W2052342377 countsByYear W20523423772022 @default.
- W2052342377 crossrefType "journal-article" @default.
- W2052342377 hasAuthorship W2052342377A5014428406 @default.
- W2052342377 hasAuthorship W2052342377A5034879764 @default.
- W2052342377 hasAuthorship W2052342377A5074145338 @default.
- W2052342377 hasConcept C119824511 @default.
- W2052342377 hasConcept C120665830 @default.
- W2052342377 hasConcept C121332964 @default.
- W2052342377 hasConcept C147597530 @default.
- W2052342377 hasConcept C152365726 @default.
- W2052342377 hasConcept C168900304 @default.
- W2052342377 hasConcept C178790620 @default.
- W2052342377 hasConcept C185592680 @default.
- W2052342377 hasConcept C192562407 @default.
- W2052342377 hasConcept C2776403692 @default.
- W2052342377 hasConcept C2777331810 @default.
- W2052342377 hasConcept C2779546866 @default.
- W2052342377 hasConcept C2780761128 @default.
- W2052342377 hasConcept C41999313 @default.
- W2052342377 hasConcept C55493867 @default.
- W2052342377 hasConcept C75473681 @default.
- W2052342377 hasConceptScore W2052342377C119824511 @default.
- W2052342377 hasConceptScore W2052342377C120665830 @default.
- W2052342377 hasConceptScore W2052342377C121332964 @default.
- W2052342377 hasConceptScore W2052342377C147597530 @default.
- W2052342377 hasConceptScore W2052342377C152365726 @default.
- W2052342377 hasConceptScore W2052342377C168900304 @default.
- W2052342377 hasConceptScore W2052342377C178790620 @default.
- W2052342377 hasConceptScore W2052342377C185592680 @default.
- W2052342377 hasConceptScore W2052342377C192562407 @default.
- W2052342377 hasConceptScore W2052342377C2776403692 @default.
- W2052342377 hasConceptScore W2052342377C2777331810 @default.
- W2052342377 hasConceptScore W2052342377C2779546866 @default.
- W2052342377 hasConceptScore W2052342377C2780761128 @default.
- W2052342377 hasConceptScore W2052342377C41999313 @default.
- W2052342377 hasConceptScore W2052342377C55493867 @default.
- W2052342377 hasConceptScore W2052342377C75473681 @default.
- W2052342377 hasIssue "10" @default.
- W2052342377 hasLocation W20523423771 @default.
- W2052342377 hasLocation W20523423772 @default.
- W2052342377 hasOpenAccess W2052342377 @default.
- W2052342377 hasPrimaryLocation W20523423771 @default.
- W2052342377 hasRelatedWork W2016826833 @default.
- W2052342377 hasRelatedWork W2020569522 @default.
- W2052342377 hasRelatedWork W2021299743 @default.
- W2052342377 hasRelatedWork W2038453080 @default.
- W2052342377 hasRelatedWork W2047355546 @default.
- W2052342377 hasRelatedWork W2092699857 @default.
- W2052342377 hasRelatedWork W2366988029 @default.
- W2052342377 hasRelatedWork W2952111429 @default.
- W2052342377 hasRelatedWork W3026132299 @default.
- W2052342377 hasRelatedWork W4244209192 @default.
- W2052342377 hasVolume "130" @default.
- W2052342377 isParatext "false" @default.