FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2081142015> ?p ?o ?g. }

• W2081142015 endingPage "1207" @default.
• W2081142015 startingPage "1203" @default.
• W2081142015 abstract "High-level ab initio electronic structure calculations, including extrapolations to the complete basis set limit as well as relativistic and diagonal Born-Oppenheimer corrections, resulted in a torsional potential of acetaldehyde in its electronic ground state. This benchmark-quality potential fully reflects the symmetry and internal rotation dynamics of this molecule in the energy range probed by spectroscopic experiments in the infrared and microwave regions. The torsional transition frequencies calculated from this potential and the ab initio torsional inverse effective mass function are within 2 cm(-1) of the available experimental values. Furthermore, the computed contortional parameter rho of the rho-axis system Hamiltonian is also in excellent agreement with that obtained from spectral analyses of acetaldehyde." @default.
• W2081142015 created "2016-06-24" @default.
• W2081142015 creator A5027032743 @default.
• W2081142015 creator A5079387406 @default.
• W2081142015 creator A5088764108 @default.
• W2081142015 date "2004-01-13" @default.
• W2081142015 modified "2023-09-24" @default.
• W2081142015 title "<i>Ab initio</i> torsional potential and transition frequencies of acetaldehyde" @default.
• W2081142015 cites W1574356778 @default.
• W2081142015 cites W1972405704 @default.
• W2081142015 cites W1974724128 @default.
• W2081142015 cites W1981944551 @default.
• W2081142015 cites W1984768735 @default.
• W2081142015 cites W1992024123 @default.
• W2081142015 cites W1993441285 @default.
• W2081142015 cites W1994917514 @default.
• W2081142015 cites W2002481201 @default.
• W2081142015 cites W2023470424 @default.
• W2081142015 cites W2023658567 @default.
• W2081142015 cites W2024893209 @default.
• W2081142015 cites W2031021251 @default.
• W2081142015 cites W2034078471 @default.
• W2081142015 cites W2037040256 @default.
• W2081142015 cites W2044631664 @default.
• W2081142015 cites W2046710743 @default.
• W2081142015 cites W2048357727 @default.
• W2081142015 cites W2068089790 @default.
• W2081142015 cites W2069006374 @default.
• W2081142015 cites W2078057866 @default.
• W2081142015 cites W2080671633 @default.
• W2081142015 cites W2086803729 @default.
• W2081142015 cites W2092930273 @default.
• W2081142015 cites W2128525695 @default.
• W2081142015 cites W2129681930 @default.
• W2081142015 cites W4212862877 @default.
• W2081142015 doi "https://doi.org/10.1063/1.1633260" @default.
• W2081142015 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/15268244" @default.
• W2081142015 hasPublicationYear "2004" @default.
• W2081142015 type Work @default.
• W2081142015 sameAs 2081142015 @default.
• W2081142015 citedByCount "48" @default.
• W2081142015 countsByYear W20811420152012 @default.
• W2081142015 countsByYear W20811420152013 @default.
• W2081142015 countsByYear W20811420152014 @default.
• W2081142015 countsByYear W20811420152015 @default.
• W2081142015 countsByYear W20811420152016 @default.
• W2081142015 countsByYear W20811420152017 @default.
• W2081142015 countsByYear W20811420152018 @default.
• W2081142015 countsByYear W20811420152019 @default.
• W2081142015 countsByYear W20811420152020 @default.
• W2081142015 countsByYear W20811420152023 @default.
• W2081142015 crossrefType "journal-article" @default.
• W2081142015 hasAuthorship W2081142015A5027032743 @default.
• W2081142015 hasAuthorship W2081142015A5079387406 @default.
• W2081142015 hasAuthorship W2081142015A5088764108 @default.
• W2081142015 hasBestOaLocation W20811420152 @default.
• W2081142015 hasConcept C121332964 @default.
• W2081142015 hasConcept C126255220 @default.
• W2081142015 hasConcept C130787639 @default.
• W2081142015 hasConcept C147597530 @default.
• W2081142015 hasConcept C152365726 @default.
• W2081142015 hasConcept C178790620 @default.
• W2081142015 hasConcept C183971685 @default.
• W2081142015 hasConcept C184779094 @default.
• W2081142015 hasConcept C185592680 @default.
• W2081142015 hasConcept C2781442258 @default.
• W2081142015 hasConcept C32909587 @default.
• W2081142015 hasConcept C33923547 @default.
• W2081142015 hasConcept C41999313 @default.
• W2081142015 hasConcept C65956243 @default.
• W2081142015 hasConcept C69523127 @default.
• W2081142015 hasConcept C84551667 @default.
• W2081142015 hasConceptScore W2081142015C121332964 @default.
• W2081142015 hasConceptScore W2081142015C126255220 @default.
• W2081142015 hasConceptScore W2081142015C130787639 @default.
• W2081142015 hasConceptScore W2081142015C147597530 @default.
• W2081142015 hasConceptScore W2081142015C152365726 @default.
• W2081142015 hasConceptScore W2081142015C178790620 @default.
• W2081142015 hasConceptScore W2081142015C183971685 @default.
• W2081142015 hasConceptScore W2081142015C184779094 @default.
• W2081142015 hasConceptScore W2081142015C185592680 @default.
• W2081142015 hasConceptScore W2081142015C2781442258 @default.
• W2081142015 hasConceptScore W2081142015C32909587 @default.
• W2081142015 hasConceptScore W2081142015C33923547 @default.
• W2081142015 hasConceptScore W2081142015C41999313 @default.
• W2081142015 hasConceptScore W2081142015C65956243 @default.
• W2081142015 hasConceptScore W2081142015C69523127 @default.
• W2081142015 hasConceptScore W2081142015C84551667 @default.
• W2081142015 hasIssue "3" @default.
• W2081142015 hasLocation W20811420151 @default.
• W2081142015 hasLocation W20811420152 @default.
• W2081142015 hasLocation W20811420153 @default.
• W2081142015 hasOpenAccess W2081142015 @default.
• W2081142015 hasPrimaryLocation W20811420151 @default.
• W2081142015 hasRelatedWork W1989614561 @default.
• W2081142015 hasRelatedWork W1991778621 @default.
• W2081142015 hasRelatedWork W2007944094 @default.
• W2081142015 hasRelatedWork W2008512619 @default.

• next