FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2005446202> ?p ?o ?g. }

• W2005446202 endingPage "212" @default.
• W2005446202 startingPage "201" @default.
• W2005446202 abstract "The basis set dependence of the barrier for internal rotation of benzaldehyde has been investigated at the STO-3G, 4-21G, 4-31G, 6-31G and 6-31G*(5D) levels of computation, employing complete geometry optimization at the higher levels. The torsional potential energy curves are fitted to the function. The STO-3G basis set gives the closest agreement with experiment for the barrier height V2. Split-valence basis sets give much higher values, e.g. ≈15kJ mol−1 greater than experiment with 6-31G*(5D). The changes in geometry induced by including polarization functions and those which accompany the rotation of the formyl group are discussed and compared with corresponding data for phenol." @default.
• W2005446202 created "2016-06-24" @default.
• W2005446202 creator A5011414046 @default.
• W2005446202 creator A5083512162 @default.
• W2005446202 creator A5087355962 @default.
• W2005446202 date "1987-07-01" @default.
• W2005446202 modified "2023-09-23" @default.
• W2005446202 title "A molecular orbit study of the barrier height in benzaldehyde, and the changes in geometry which accompany the rotation of the formyl group" @default.
• W2005446202 cites W1513877607 @default.
• W2005446202 cites W1963523512 @default.
• W2005446202 cites W1967314659 @default.
• W2005446202 cites W1968402998 @default.
• W2005446202 cites W1971249240 @default.
• W2005446202 cites W1974796601 @default.
• W2005446202 cites W1984054954 @default.
• W2005446202 cites W1996326898 @default.
• W2005446202 cites W2006787354 @default.
• W2005446202 cites W2016295834 @default.
• W2005446202 cites W2026045978 @default.
• W2005446202 cites W2033569678 @default.
• W2005446202 cites W2034815984 @default.
• W2005446202 cites W2035069127 @default.
• W2005446202 cites W2042802066 @default.
• W2005446202 cites W2044053640 @default.
• W2005446202 cites W2046412723 @default.
• W2005446202 cites W2053878240 @default.
• W2005446202 cites W2054812928 @default.
• W2005446202 cites W2056303381 @default.
• W2005446202 cites W2058363175 @default.
• W2005446202 cites W2058771399 @default.
• W2005446202 cites W2059184098 @default.
• W2005446202 cites W2059920057 @default.
• W2005446202 cites W2060875637 @default.
• W2005446202 cites W2062309652 @default.
• W2005446202 cites W2063010011 @default.
• W2005446202 cites W2063222925 @default.
• W2005446202 cites W2063701646 @default.
• W2005446202 cites W2068363410 @default.
• W2005446202 cites W2084916739 @default.
• W2005446202 cites W2094642658 @default.
• W2005446202 cites W2152394120 @default.
• W2005446202 cites W2316356808 @default.
• W2005446202 cites W2952737348 @default.
• W2005446202 cites W4233006365 @default.
• W2005446202 cites W4234984636 @default.
• W2005446202 doi "https://doi.org/10.1016/0166-1280(87)80061-1" @default.
• W2005446202 hasPublicationYear "1987" @default.
• W2005446202 type Work @default.
• W2005446202 sameAs 2005446202 @default.
• W2005446202 citedByCount "33" @default.
• W2005446202 countsByYear W20054462022012 @default.
• W2005446202 countsByYear W20054462022023 @default.
• W2005446202 crossrefType "journal-article" @default.
• W2005446202 hasAuthorship W2005446202A5011414046 @default.
• W2005446202 hasAuthorship W2005446202A5083512162 @default.
• W2005446202 hasAuthorship W2005446202A5087355962 @default.
• W2005446202 hasConcept C11413529 @default.
• W2005446202 hasConcept C127413603 @default.
• W2005446202 hasConcept C147597530 @default.
• W2005446202 hasConcept C14961307 @default.
• W2005446202 hasConcept C152365726 @default.
• W2005446202 hasConcept C161790260 @default.
• W2005446202 hasConcept C168900304 @default.
• W2005446202 hasConcept C178790620 @default.
• W2005446202 hasConcept C185592680 @default.
• W2005446202 hasConcept C2524010 @default.
• W2005446202 hasConcept C2779692420 @default.
• W2005446202 hasConcept C2781311116 @default.
• W2005446202 hasConcept C2994254730 @default.
• W2005446202 hasConcept C33923547 @default.
• W2005446202 hasConcept C45374587 @default.
• W2005446202 hasConcept C65956243 @default.
• W2005446202 hasConcept C74050887 @default.
• W2005446202 hasConcept C78519656 @default.
• W2005446202 hasConceptScore W2005446202C11413529 @default.
• W2005446202 hasConceptScore W2005446202C127413603 @default.
• W2005446202 hasConceptScore W2005446202C147597530 @default.
• W2005446202 hasConceptScore W2005446202C14961307 @default.
• W2005446202 hasConceptScore W2005446202C152365726 @default.
• W2005446202 hasConceptScore W2005446202C161790260 @default.
• W2005446202 hasConceptScore W2005446202C168900304 @default.
• W2005446202 hasConceptScore W2005446202C178790620 @default.
• W2005446202 hasConceptScore W2005446202C185592680 @default.
• W2005446202 hasConceptScore W2005446202C2524010 @default.
• W2005446202 hasConceptScore W2005446202C2779692420 @default.
• W2005446202 hasConceptScore W2005446202C2781311116 @default.
• W2005446202 hasConceptScore W2005446202C2994254730 @default.
• W2005446202 hasConceptScore W2005446202C33923547 @default.
• W2005446202 hasConceptScore W2005446202C45374587 @default.
• W2005446202 hasConceptScore W2005446202C65956243 @default.
• W2005446202 hasConceptScore W2005446202C74050887 @default.
• W2005446202 hasConceptScore W2005446202C78519656 @default.
• W2005446202 hasIssue "3-4" @default.
• W2005446202 hasLocation W20054462021 @default.
• W2005446202 hasOpenAccess W2005446202 @default.
• W2005446202 hasPrimaryLocation W20054462021 @default.
• W2005446202 hasRelatedWork W1971001652 @default.
• W2005446202 hasRelatedWork W1982572542 @default.

• next