FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2770578258> ?p ?o ?g. }

• W2770578258 endingPage "1750077" @default.
• W2770578258 startingPage "1750077" @default.
• W2770578258 abstract "The unimolecular dissociation rate constants of ethylene glycol were examined using the MP2/6-311[Formula: see text]G(d,p) method based on the Rice–Ramsperger–Kassel–Marcus (RRKM) theory. The effect of anharmonicity on the dissociation rate constants was evaluated at 500–4000[Formula: see text]K temperatures of the canonical system and 25,182–50,235[Formula: see text]cm[Formula: see text] total energies of the microcanonical system. The comparison of the results showed that the H 2 O elimination reaction played a critical role in the decomposition processes of ethylene glycol. The results of the rate constant calculations indicated that the H 2 O elimination reaction dominated at low temperatures, whereas the direct C–C bond dissociation reaction (CH 2 OHCH 2 OH [Formula: see text] CH 2 OH[Formula: see text][Formula: see text][Formula: see text]CH 2 OH) dominated at high temperatures. For channel 1, CH 2 OH[Formula: see text][Formula: see text][Formula: see text]CH 2 OH, the anharmonic effect of the canonical system was not observed, while it became more obvious with the increasing total energies in the microcanonical system. For channels 2–5, CH 3 CHO[Formula: see text][Formula: see text][Formula: see text]H 2 O, CH 2 CHOH[Formula: see text][Formula: see text][Formula: see text]H 2 O, CH 3 OH[Formula: see text][Formula: see text][Formula: see text]CHOH, and CH 2 OHCHO[Formula: see text][Formula: see text][Formula: see text]H 2 , the anharmonic effect of canonical and microcanonical systems became more obvious with increasing temperatures and total energies. The comparison showed that, for channels 1 and 4, C–C bond dissociation and the anharmonic effect of the microcanonical system were more evident, whereas the anharmonic effect of the canonical system was more predominant for channels 2 (CH 3 CHO[Formula: see text][Formula: see text][Formula: see text]H 2 O), 3 (CH 2 CHOH[Formula: see text][Formula: see text][Formula: see text]H 2 O), and 5 (CH 2 OHCHO[Formula: see text][Formula: see text][Formula: see text]H 2 )." @default.
• W2770578258 created "2017-12-04" @default.
• W2770578258 creator A5014942240 @default.
• W2770578258 creator A5055681721 @default.
• W2770578258 creator A5062403315 @default.
• W2770578258 date "2017-12-01" @default.
• W2770578258 modified "2023-09-25" @default.
• W2770578258 title "Calculation of anharmonic effect on the dissociation of ethylene glycol" @default.
• W2770578258 cites W1970692259 @default.
• W2770578258 cites W1971586330 @default.
• W2770578258 cites W1986864546 @default.
• W2770578258 cites W1997301914 @default.
• W2770578258 cites W1997340500 @default.
• W2770578258 cites W2000515270 @default.
• W2770578258 cites W2002832239 @default.
• W2770578258 cites W2006092108 @default.
• W2770578258 cites W2007221937 @default.
• W2770578258 cites W2009056895 @default.
• W2770578258 cites W2011535215 @default.
• W2770578258 cites W2015616974 @default.
• W2770578258 cites W2020961223 @default.
• W2770578258 cites W2028187414 @default.
• W2770578258 cites W2030051470 @default.
• W2770578258 cites W2034266865 @default.
• W2770578258 cites W2035662626 @default.
• W2770578258 cites W2035944742 @default.
• W2770578258 cites W2041586005 @default.
• W2770578258 cites W2047684427 @default.
• W2770578258 cites W2049281887 @default.
• W2770578258 cites W2051945567 @default.
• W2770578258 cites W2055975993 @default.
• W2770578258 cites W2060218708 @default.
• W2770578258 cites W2069290352 @default.
• W2770578258 cites W2071902571 @default.
• W2770578258 cites W2076772212 @default.
• W2770578258 cites W2079529452 @default.
• W2770578258 cites W2081368015 @default.
• W2770578258 cites W2087724155 @default.
• W2770578258 cites W2090607438 @default.
• W2770578258 cites W2093486822 @default.
• W2770578258 cites W2137115814 @default.
• W2770578258 cites W2140695982 @default.
• W2770578258 cites W2160221574 @default.
• W2770578258 cites W2169269140 @default.
• W2770578258 cites W2321364666 @default.
• W2770578258 cites W2950112281 @default.
• W2770578258 cites W612385047 @default.
• W2770578258 cites W1991353188 @default.
• W2770578258 doi "https://doi.org/10.1142/s0219633617500778" @default.
• W2770578258 hasPublicationYear "2017" @default.
• W2770578258 type Work @default.
• W2770578258 sameAs 2770578258 @default.
• W2770578258 citedByCount "1" @default.
• W2770578258 countsByYear W27705782582022 @default.
• W2770578258 crossrefType "journal-article" @default.
• W2770578258 hasAuthorship W2770578258A5014942240 @default.
• W2770578258 hasAuthorship W2770578258A5055681721 @default.
• W2770578258 hasAuthorship W2770578258A5062403315 @default.
• W2770578258 hasConcept C102931765 @default.
• W2770578258 hasConcept C121332964 @default.
• W2770578258 hasConcept C147597530 @default.
• W2770578258 hasConcept C147724859 @default.
• W2770578258 hasConcept C147789679 @default.
• W2770578258 hasConcept C148898269 @default.
• W2770578258 hasConcept C178790620 @default.
• W2770578258 hasConcept C185592680 @default.
• W2770578258 hasConcept C2777516009 @default.
• W2770578258 hasConcept C37914503 @default.
• W2770578258 hasConcept C62520636 @default.
• W2770578258 hasConcept C93391505 @default.
• W2770578258 hasConcept C97355855 @default.
• W2770578258 hasConceptScore W2770578258C102931765 @default.
• W2770578258 hasConceptScore W2770578258C121332964 @default.
• W2770578258 hasConceptScore W2770578258C147597530 @default.
• W2770578258 hasConceptScore W2770578258C147724859 @default.
• W2770578258 hasConceptScore W2770578258C147789679 @default.
• W2770578258 hasConceptScore W2770578258C148898269 @default.
• W2770578258 hasConceptScore W2770578258C178790620 @default.
• W2770578258 hasConceptScore W2770578258C185592680 @default.
• W2770578258 hasConceptScore W2770578258C2777516009 @default.
• W2770578258 hasConceptScore W2770578258C37914503 @default.
• W2770578258 hasConceptScore W2770578258C62520636 @default.
• W2770578258 hasConceptScore W2770578258C93391505 @default.
• W2770578258 hasConceptScore W2770578258C97355855 @default.
• W2770578258 hasIssue "08" @default.
• W2770578258 hasLocation W27705782581 @default.
• W2770578258 hasOpenAccess W2770578258 @default.
• W2770578258 hasPrimaryLocation W27705782581 @default.
• W2770578258 hasRelatedWork W1948687648 @default.
• W2770578258 hasRelatedWork W1981153560 @default.
• W2770578258 hasRelatedWork W2027897337 @default.
• W2770578258 hasRelatedWork W2031758032 @default.
• W2770578258 hasRelatedWork W2073759927 @default.
• W2770578258 hasRelatedWork W2151095069 @default.
• W2770578258 hasRelatedWork W2770578258 @default.
• W2770578258 hasRelatedWork W2889339435 @default.
• W2770578258 hasRelatedWork W2978391206 @default.
• W2770578258 hasRelatedWork W1991353188 @default.

• next