Matches in SemOpenAlex for { <https://semopenalex.org/work/W1991752782> ?p ?o ?g. }
- W1991752782 endingPage "1937" @default.
- W1991752782 startingPage "1930" @default.
- W1991752782 abstract "Ab initio calculations of the vertical transitions, transition dipole moments, and permanent dipole moments of several low-lying valence states of the fluorescent base 2-aminopurine have been obtained in both the gas phase and in water using the configuration interaction singles method in conjunction with the Onsager reaction field model. The results for the electronic state ordering, excited state energy gaps, and transition dipole moment directions are in generally good agreement with those determined experimentally. The fluorescence Stokes' shift for the S0 → S1 transition is computed taking into account the contributions from both intramolecular and solvent reorganization processes. The result is in excellent agreement with experiment and suggests that the magnitude of the shift is due primarily to intramolecular relaxation of the S1 state." @default.
- W1991752782 created "2016-06-24" @default.
- W1991752782 creator A5077603599 @default.
- W1991752782 creator A5083859595 @default.
- W1991752782 date "2000-02-05" @default.
- W1991752782 modified "2023-09-29" @default.
- W1991752782 title "Theoretical Study of the Excited State Properties and Transitions of 2-Aminopurine in the Gas Phase and in Solution" @default.
- W1991752782 cites W1579716589 @default.
- W1991752782 cites W1966941120 @default.
- W1991752782 cites W1971968827 @default.
- W1991752782 cites W1979545166 @default.
- W1991752782 cites W1981019729 @default.
- W1991752782 cites W1982328110 @default.
- W1991752782 cites W1995629096 @default.
- W1991752782 cites W1996126082 @default.
- W1991752782 cites W2001154603 @default.
- W1991752782 cites W2006947798 @default.
- W1991752782 cites W2009580136 @default.
- W1991752782 cites W2023028199 @default.
- W1991752782 cites W2049583706 @default.
- W1991752782 cites W2063663126 @default.
- W1991752782 cites W2069456714 @default.
- W1991752782 cites W2070115525 @default.
- W1991752782 cites W2075249788 @default.
- W1991752782 cites W2082280007 @default.
- W1991752782 cites W2083547109 @default.
- W1991752782 cites W2088295238 @default.
- W1991752782 cites W2091751711 @default.
- W1991752782 cites W2094358007 @default.
- W1991752782 cites W2098588909 @default.
- W1991752782 cites W2157867429 @default.
- W1991752782 cites W2163323107 @default.
- W1991752782 cites W2168237442 @default.
- W1991752782 cites W2178006639 @default.
- W1991752782 cites W2326203395 @default.
- W1991752782 cites W2501886121 @default.
- W1991752782 cites W335769971 @default.
- W1991752782 doi "https://doi.org/10.1021/jp9938258" @default.
- W1991752782 hasPublicationYear "2000" @default.
- W1991752782 type Work @default.
- W1991752782 sameAs 1991752782 @default.
- W1991752782 citedByCount "34" @default.
- W1991752782 countsByYear W19917527822012 @default.
- W1991752782 countsByYear W19917527822013 @default.
- W1991752782 countsByYear W19917527822014 @default.
- W1991752782 countsByYear W19917527822018 @default.
- W1991752782 countsByYear W19917527822023 @default.
- W1991752782 crossrefType "journal-article" @default.
- W1991752782 hasAuthorship W1991752782A5077603599 @default.
- W1991752782 hasAuthorship W1991752782A5083859595 @default.
- W1991752782 hasConcept C121332964 @default.
- W1991752782 hasConcept C15744967 @default.
- W1991752782 hasConcept C168900304 @default.
- W1991752782 hasConcept C173523689 @default.
- W1991752782 hasConcept C178790620 @default.
- W1991752782 hasConcept C181500209 @default.
- W1991752782 hasConcept C183971685 @default.
- W1991752782 hasConcept C184779094 @default.
- W1991752782 hasConcept C185592680 @default.
- W1991752782 hasConcept C198990423 @default.
- W1991752782 hasConcept C2776029896 @default.
- W1991752782 hasConcept C2781442258 @default.
- W1991752782 hasConcept C32909587 @default.
- W1991752782 hasConcept C41999313 @default.
- W1991752782 hasConcept C62520636 @default.
- W1991752782 hasConcept C71240020 @default.
- W1991752782 hasConcept C75079739 @default.
- W1991752782 hasConcept C77805123 @default.
- W1991752782 hasConcept C80994870 @default.
- W1991752782 hasConcept C83581075 @default.
- W1991752782 hasConcept C91881484 @default.
- W1991752782 hasConceptScore W1991752782C121332964 @default.
- W1991752782 hasConceptScore W1991752782C15744967 @default.
- W1991752782 hasConceptScore W1991752782C168900304 @default.
- W1991752782 hasConceptScore W1991752782C173523689 @default.
- W1991752782 hasConceptScore W1991752782C178790620 @default.
- W1991752782 hasConceptScore W1991752782C181500209 @default.
- W1991752782 hasConceptScore W1991752782C183971685 @default.
- W1991752782 hasConceptScore W1991752782C184779094 @default.
- W1991752782 hasConceptScore W1991752782C185592680 @default.
- W1991752782 hasConceptScore W1991752782C198990423 @default.
- W1991752782 hasConceptScore W1991752782C2776029896 @default.
- W1991752782 hasConceptScore W1991752782C2781442258 @default.
- W1991752782 hasConceptScore W1991752782C32909587 @default.
- W1991752782 hasConceptScore W1991752782C41999313 @default.
- W1991752782 hasConceptScore W1991752782C62520636 @default.
- W1991752782 hasConceptScore W1991752782C71240020 @default.
- W1991752782 hasConceptScore W1991752782C75079739 @default.
- W1991752782 hasConceptScore W1991752782C77805123 @default.
- W1991752782 hasConceptScore W1991752782C80994870 @default.
- W1991752782 hasConceptScore W1991752782C83581075 @default.
- W1991752782 hasConceptScore W1991752782C91881484 @default.
- W1991752782 hasIssue "9" @default.
- W1991752782 hasLocation W19917527821 @default.
- W1991752782 hasOpenAccess W1991752782 @default.
- W1991752782 hasPrimaryLocation W19917527821 @default.
- W1991752782 hasRelatedWork W1971430405 @default.
- W1991752782 hasRelatedWork W1987579920 @default.