FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W3043089283> ?p ?o ?g. }

• W3043089283 endingPage "118746" @default.
• W3043089283 startingPage "118746" @default.
• W3043089283 abstract "The exploration for the four possible isomers of sulfur trioxide (SO3) has led to the analysis of spectroscopic constants and anharmonic force fields for cis-OSOO, trans-OSOO, OS(=O) O and SOOO. Quantum chemical calculations are performed with Density Functional Theory (DFT) by employing B3LYP, B3P86 and B3PW91 three different functionals, in combination with Dunning's correlation-consistent cc-pVnZ, aug-cc-pVnZ (n = T, Q) basis sets. The equilibrium geometries, energies, force constants, a series of spectroscopic constants of these four isomers of SO3 are calculated. The relationship between their structures and spectroscopic properties are analyzed in detail. The present results well reproduce the previous corresponding theoretical or experimental values. Therefore, we hope that our predictions on the isomers of SO3 can provide the useful reference to further study their spectroscopic properties." @default.
• W3043089283 created "2020-07-23" @default.
• W3043089283 creator A5013585817 @default.
• W3043089283 creator A5047989462 @default.
• W3043089283 creator A5052344645 @default.
• W3043089283 creator A5060607563 @default.
• W3043089283 creator A5083167888 @default.
• W3043089283 creator A5087970810 @default.
• W3043089283 date "2020-12-01" @default.
• W3043089283 modified "2023-10-16" @default.
• W3043089283 title "Ab initio study on the molecular structure and spectroscopic properties of isomers of SO3" @default.
• W3043089283 cites W1968095257 @default.
• W3043089283 cites W1983812510 @default.
• W3043089283 cites W1984797322 @default.
• W3043089283 cites W1986706538 @default.
• W3043089283 cites W2014290263 @default.
• W3043089283 cites W2021447581 @default.
• W3043089283 cites W2022929847 @default.
• W3043089283 cites W2023271753 @default.
• W3043089283 cites W2030687437 @default.
• W3043089283 cites W2039012505 @default.
• W3043089283 cites W2040103661 @default.
• W3043089283 cites W2044476698 @default.
• W3043089283 cites W2049079467 @default.
• W3043089283 cites W2055984304 @default.
• W3043089283 cites W2080743559 @default.
• W3043089283 cites W2081383679 @default.
• W3043089283 cites W2093938828 @default.
• W3043089283 cites W2132679773 @default.
• W3043089283 cites W2143981217 @default.
• W3043089283 cites W2151220474 @default.
• W3043089283 cites W2316616039 @default.
• W3043089283 cites W2619741711 @default.
• W3043089283 cites W2620153389 @default.
• W3043089283 cites W2772813482 @default.
• W3043089283 cites W2934512834 @default.
• W3043089283 doi "https://doi.org/10.1016/j.saa.2020.118746" @default.
• W3043089283 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/32739518" @default.
• W3043089283 hasPublicationYear "2020" @default.
• W3043089283 type Work @default.
• W3043089283 sameAs 3043089283 @default.
• W3043089283 citedByCount "6" @default.
• W3043089283 countsByYear W30430892832021 @default.
• W3043089283 countsByYear W30430892832022 @default.
• W3043089283 crossrefType "journal-article" @default.
• W3043089283 hasAuthorship W3043089283A5013585817 @default.
• W3043089283 hasAuthorship W3043089283A5047989462 @default.
• W3043089283 hasAuthorship W3043089283A5052344645 @default.
• W3043089283 hasAuthorship W3043089283A5060607563 @default.
• W3043089283 hasAuthorship W3043089283A5083167888 @default.
• W3043089283 hasAuthorship W3043089283A5087970810 @default.
• W3043089283 hasConcept C121332964 @default.
• W3043089283 hasConcept C147597530 @default.
• W3043089283 hasConcept C147724859 @default.
• W3043089283 hasConcept C147789679 @default.
• W3043089283 hasConcept C152365726 @default.
• W3043089283 hasConcept C176788430 @default.
• W3043089283 hasConcept C178790620 @default.
• W3043089283 hasConcept C185592680 @default.
• W3043089283 hasConcept C202235601 @default.
• W3043089283 hasConcept C2778199549 @default.
• W3043089283 hasConcept C2778318744 @default.
• W3043089283 hasConcept C2781442258 @default.
• W3043089283 hasConcept C2991951333 @default.
• W3043089283 hasConcept C2992321928 @default.
• W3043089283 hasConcept C32909587 @default.
• W3043089283 hasConcept C62520636 @default.
• W3043089283 hasConcept C71240020 @default.
• W3043089283 hasConcept C97355855 @default.
• W3043089283 hasConceptScore W3043089283C121332964 @default.
• W3043089283 hasConceptScore W3043089283C147597530 @default.
• W3043089283 hasConceptScore W3043089283C147724859 @default.
• W3043089283 hasConceptScore W3043089283C147789679 @default.
• W3043089283 hasConceptScore W3043089283C152365726 @default.
• W3043089283 hasConceptScore W3043089283C176788430 @default.
• W3043089283 hasConceptScore W3043089283C178790620 @default.
• W3043089283 hasConceptScore W3043089283C185592680 @default.
• W3043089283 hasConceptScore W3043089283C202235601 @default.
• W3043089283 hasConceptScore W3043089283C2778199549 @default.
• W3043089283 hasConceptScore W3043089283C2778318744 @default.
• W3043089283 hasConceptScore W3043089283C2781442258 @default.
• W3043089283 hasConceptScore W3043089283C2991951333 @default.
• W3043089283 hasConceptScore W3043089283C2992321928 @default.
• W3043089283 hasConceptScore W3043089283C32909587 @default.
• W3043089283 hasConceptScore W3043089283C62520636 @default.
• W3043089283 hasConceptScore W3043089283C71240020 @default.
• W3043089283 hasConceptScore W3043089283C97355855 @default.
• W3043089283 hasFunder F4320321001 @default.
• W3043089283 hasFunder F4320326189 @default.
• W3043089283 hasLocation W30430892831 @default.
• W3043089283 hasLocation W30430892832 @default.
• W3043089283 hasOpenAccess W3043089283 @default.
• W3043089283 hasPrimaryLocation W30430892831 @default.
• W3043089283 hasRelatedWork W2025195245 @default.
• W3043089283 hasRelatedWork W2038710761 @default.
• W3043089283 hasRelatedWork W2046050680 @default.
• W3043089283 hasRelatedWork W2073823768 @default.
• W3043089283 hasRelatedWork W2339403335 @default.

• next