FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2104771168> ?p ?o ?g. }

• W2104771168 endingPage "140" @default.
• W2104771168 startingPage "135" @default.
• W2104771168 abstract "A study is presented of the effect of torsional anharmonicity on the structure and thermodynamic properties of methanol. The data are obtained from ab initio calculations at the MP2/aug-cc-pTVZ level. It is observed that the torsion significantly affects the methyl group. Incorporating the experimental data into a one-dimensional model, the barrier to rotation is estimated to be 377.94 cm−1. Thermodynamic properties are calculated using a harmonic model and an anharmonic model where the methyl torsion is considered as a large-amplitude motion. The effect of torsional anharmonicity is especially important for the entropy and Gibbs energy as a consequence of the large variation in the molecular partition function." @default.
• W2104771168 created "2016-06-24" @default.
• W2104771168 creator A5027032743 @default.
• W2104771168 creator A5033933350 @default.
• W2104771168 creator A5051075053 @default.
• W2104771168 date "1997-07-01" @default.
• W2104771168 modified "2023-10-12" @default.
• W2104771168 title "Theoretical study of the effect of torsional anharmonicity on the thermodynamic properties of methanol" @default.
• W2104771168 cites W1502386748 @default.
• W2104771168 cites W1969252815 @default.
• W2104771168 cites W1973117347 @default.
• W2104771168 cites W1977348753 @default.
• W2104771168 cites W1979462503 @default.
• W2104771168 cites W1985334492 @default.
• W2104771168 cites W1995270225 @default.
• W2104771168 cites W1997704558 @default.
• W2104771168 cites W2022495401 @default.
• W2104771168 cites W2022950330 @default.
• W2104771168 cites W2024022087 @default.
• W2104771168 cites W2031200077 @default.
• W2104771168 cites W2035038252 @default.
• W2104771168 cites W2035851687 @default.
• W2104771168 cites W2036741276 @default.
• W2104771168 cites W2036751280 @default.
• W2104771168 cites W2038479287 @default.
• W2104771168 cites W2038533771 @default.
• W2104771168 cites W2042371222 @default.
• W2104771168 cites W2049343820 @default.
• W2104771168 cites W2053422747 @default.
• W2104771168 cites W2054945699 @default.
• W2104771168 cites W2057188528 @default.
• W2104771168 cites W2074660733 @default.
• W2104771168 cites W2080802724 @default.
• W2104771168 cites W2081665960 @default.
• W2104771168 cites W2094114004 @default.
• W2104771168 doi "https://doi.org/10.1016/s0009-2614(97)00557-5" @default.
• W2104771168 hasPublicationYear "1997" @default.
• W2104771168 type Work @default.
• W2104771168 sameAs 2104771168 @default.
• W2104771168 citedByCount "30" @default.
• W2104771168 countsByYear W21047711682013 @default.
• W2104771168 countsByYear W21047711682014 @default.
• W2104771168 countsByYear W21047711682015 @default.
• W2104771168 countsByYear W21047711682016 @default.
• W2104771168 countsByYear W21047711682018 @default.
• W2104771168 countsByYear W21047711682019 @default.
• W2104771168 countsByYear W21047711682020 @default.
• W2104771168 crossrefType "journal-article" @default.
• W2104771168 hasAuthorship W2104771168A5027032743 @default.
• W2104771168 hasAuthorship W2104771168A5033933350 @default.
• W2104771168 hasAuthorship W2104771168A5051075053 @default.
• W2104771168 hasConcept C121332964 @default.
• W2104771168 hasConcept C141071460 @default.
• W2104771168 hasConcept C146477669 @default.
• W2104771168 hasConcept C147597530 @default.
• W2104771168 hasConcept C147724859 @default.
• W2104771168 hasConcept C178790620 @default.
• W2104771168 hasConcept C180205008 @default.
• W2104771168 hasConcept C185592680 @default.
• W2104771168 hasConcept C26873012 @default.
• W2104771168 hasConcept C2781442258 @default.
• W2104771168 hasConcept C41999313 @default.
• W2104771168 hasConcept C62520636 @default.
• W2104771168 hasConcept C71924100 @default.
• W2104771168 hasConcept C77461463 @default.
• W2104771168 hasConcept C97355855 @default.
• W2104771168 hasConceptScore W2104771168C121332964 @default.
• W2104771168 hasConceptScore W2104771168C141071460 @default.
• W2104771168 hasConceptScore W2104771168C146477669 @default.
• W2104771168 hasConceptScore W2104771168C147597530 @default.
• W2104771168 hasConceptScore W2104771168C147724859 @default.
• W2104771168 hasConceptScore W2104771168C178790620 @default.
• W2104771168 hasConceptScore W2104771168C180205008 @default.
• W2104771168 hasConceptScore W2104771168C185592680 @default.
• W2104771168 hasConceptScore W2104771168C26873012 @default.
• W2104771168 hasConceptScore W2104771168C2781442258 @default.
• W2104771168 hasConceptScore W2104771168C41999313 @default.
• W2104771168 hasConceptScore W2104771168C62520636 @default.
• W2104771168 hasConceptScore W2104771168C71924100 @default.
• W2104771168 hasConceptScore W2104771168C77461463 @default.
• W2104771168 hasConceptScore W2104771168C97355855 @default.
• W2104771168 hasFunder F4320324466 @default.
• W2104771168 hasIssue "3-4" @default.
• W2104771168 hasLocation W21047711681 @default.
• W2104771168 hasOpenAccess W2104771168 @default.
• W2104771168 hasPrimaryLocation W21047711681 @default.
• W2104771168 hasRelatedWork W1968954410 @default.
• W2104771168 hasRelatedWork W1982279517 @default.
• W2104771168 hasRelatedWork W1990527213 @default.
• W2104771168 hasRelatedWork W2031495384 @default.
• W2104771168 hasRelatedWork W2038710761 @default.
• W2104771168 hasRelatedWork W2045854337 @default.
• W2104771168 hasRelatedWork W2073823768 @default.
• W2104771168 hasRelatedWork W240944451 @default.
• W2104771168 hasRelatedWork W2946412233 @default.
• W2104771168 hasRelatedWork W2972095471 @default.
• W2104771168 hasVolume "273" @default.
• W2104771168 isParatext "false" @default.

• next