FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2035763349> ?p ?o ?g. }

• W2035763349 endingPage "171" @default.
• W2035763349 startingPage "167" @default.
• W2035763349 abstract "The linear polarizabilities α and second hyperpolarizabilities γ of molecules with donor–acceptor–donor (D–A–D) motifs were calculated by a semi-empirical molecular orbital method through the finite-field approach. The bond-length alternation (BLA) parameter was used to consider the structure–property relationship for this class of molecule. By tuning the molecular ground-state geometries with the applied electric field, the dependence of the longitudinal components, αxx and γxxxx, on the BLA parameter is obtained, differing from those for push–pull chromophores. With the reduction of BLA, the value of αxx increases monotonously, while γxxxx is firstly positive and increases, reaches a maximum, then decreases and crosses through zero, ultimately approaching a negative maximum. The extension of the conjugation paths connecting the acceptor and the two donors leads to a rapid increase in αxx and γxxxx values for short oligomers, accompanied by a sign reversion (from positive to negative) in γxxxx for some oligomers with highly polarized structures. A strategy for designing and synthesizing D–A–D-like molecules with large positive or negative third-order optical non-linearities is suggested based on the calculated results." @default.
• W2035763349 created "2016-06-24" @default.
• W2035763349 creator A5053214702 @default.
• W2035763349 creator A5080297712 @default.
• W2035763349 date "2001-01-01" @default.
• W2035763349 modified "2023-10-09" @default.
• W2035763349 title "A theoretical study of second hyperpolarizabilities for donor–acceptor–donor molecules" @default.
• W2035763349 cites W1965574630 @default.
• W2035763349 cites W1969094452 @default.
• W2035763349 cites W1971881871 @default.
• W2035763349 cites W1982271771 @default.
• W2035763349 cites W1982791796 @default.
• W2035763349 cites W1983916181 @default.
• W2035763349 cites W1988881684 @default.
• W2035763349 cites W1989741811 @default.
• W2035763349 cites W1991673430 @default.
• W2035763349 cites W1996833067 @default.
• W2035763349 cites W2003327895 @default.
• W2035763349 cites W2015046464 @default.
• W2035763349 cites W2023815846 @default.
• W2035763349 cites W2027481991 @default.
• W2035763349 cites W2029137635 @default.
• W2035763349 cites W2037699786 @default.
• W2035763349 cites W2044911914 @default.
• W2035763349 cites W2056485931 @default.
• W2035763349 cites W2060608642 @default.
• W2035763349 cites W2068948807 @default.
• W2035763349 cites W2070542374 @default.
• W2035763349 cites W2071102901 @default.
• W2035763349 cites W2076029620 @default.
• W2035763349 cites W2077973224 @default.
• W2035763349 cites W2082750532 @default.
• W2035763349 cites W2083997092 @default.
• W2035763349 cites W2089954357 @default.
• W2035763349 cites W2092391617 @default.
• W2035763349 cites W2092463099 @default.
• W2035763349 cites W2105184358 @default.
• W2035763349 cites W2110850557 @default.
• W2035763349 cites W2152502672 @default.
• W2035763349 cites W2171635966 @default.
• W2035763349 doi "https://doi.org/10.1039/b007563i" @default.
• W2035763349 hasPublicationYear "2001" @default.
• W2035763349 type Work @default.
• W2035763349 sameAs 2035763349 @default.
• W2035763349 citedByCount "17" @default.
• W2035763349 countsByYear W20357633492012 @default.
• W2035763349 countsByYear W20357633492016 @default.
• W2035763349 countsByYear W20357633492018 @default.
• W2035763349 countsByYear W20357633492021 @default.
• W2035763349 crossrefType "journal-article" @default.
• W2035763349 hasAuthorship W2035763349A5053214702 @default.
• W2035763349 hasAuthorship W2035763349A5080297712 @default.
• W2035763349 hasConcept C121332964 @default.
• W2035763349 hasConcept C139358910 @default.
• W2035763349 hasConcept C147597530 @default.
• W2035763349 hasConcept C159467904 @default.
• W2035763349 hasConcept C178790620 @default.
• W2035763349 hasConcept C184779094 @default.
• W2035763349 hasConcept C185592680 @default.
• W2035763349 hasConcept C192468462 @default.
• W2035763349 hasConcept C202444582 @default.
• W2035763349 hasConcept C26873012 @default.
• W2035763349 hasConcept C2779892579 @default.
• W2035763349 hasConcept C32909587 @default.
• W2035763349 hasConcept C33923547 @default.
• W2035763349 hasConcept C69523127 @default.
• W2035763349 hasConcept C75473681 @default.
• W2035763349 hasConcept C8010536 @default.
• W2035763349 hasConcept C9652623 @default.
• W2035763349 hasConceptScore W2035763349C121332964 @default.
• W2035763349 hasConceptScore W2035763349C139358910 @default.
• W2035763349 hasConceptScore W2035763349C147597530 @default.
• W2035763349 hasConceptScore W2035763349C159467904 @default.
• W2035763349 hasConceptScore W2035763349C178790620 @default.
• W2035763349 hasConceptScore W2035763349C184779094 @default.
• W2035763349 hasConceptScore W2035763349C185592680 @default.
• W2035763349 hasConceptScore W2035763349C192468462 @default.
• W2035763349 hasConceptScore W2035763349C202444582 @default.
• W2035763349 hasConceptScore W2035763349C26873012 @default.
• W2035763349 hasConceptScore W2035763349C2779892579 @default.
• W2035763349 hasConceptScore W2035763349C32909587 @default.
• W2035763349 hasConceptScore W2035763349C33923547 @default.
• W2035763349 hasConceptScore W2035763349C69523127 @default.
• W2035763349 hasConceptScore W2035763349C75473681 @default.
• W2035763349 hasConceptScore W2035763349C8010536 @default.
• W2035763349 hasConceptScore W2035763349C9652623 @default.
• W2035763349 hasIssue "2" @default.
• W2035763349 hasLocation W20357633491 @default.
• W2035763349 hasOpenAccess W2035763349 @default.
• W2035763349 hasPrimaryLocation W20357633491 @default.
• W2035763349 hasRelatedWork W1964310365 @default.
• W2035763349 hasRelatedWork W1988130758 @default.
• W2035763349 hasRelatedWork W2021522218 @default.
• W2035763349 hasRelatedWork W2041584843 @default.
• W2035763349 hasRelatedWork W2044653739 @default.
• W2035763349 hasRelatedWork W2063119300 @default.
• W2035763349 hasRelatedWork W2122133235 @default.
• W2035763349 hasRelatedWork W2790204514 @default.

• next