Matches in SemOpenAlex for { <https://semopenalex.org/work/W2090147279> ?p ?o ?g. }
- W2090147279 endingPage "41" @default.
- W2090147279 startingPage "36" @default.
- W2090147279 abstract "Decarboxylation is normally a dissociative process, commonly catalyzed by proton or enzymes. The decarboxylation mechanism of pyrrole-2-carboxylic acid involves the addition of water to the carboxyl group, and the C–C bond cleavage leading to the protonated carbonic acid. The direct decarboxylation and decarboxylation aided with water were also investigated to consider the functions of proton and water. Our calculations with Gaussian 03 package show that, with the assistance of H3O+, the potential energy of the C–C rupture decreases significantly to 9.77 kcal/mol, and the total energy barrier decreases to 33.99 kcal/mol." @default.
- W2090147279 created "2016-06-24" @default.
- W2090147279 creator A5050611867 @default.
- W2090147279 creator A5055342281 @default.
- W2090147279 creator A5055616745 @default.
- W2090147279 creator A5066682616 @default.
- W2090147279 creator A5084834971 @default.
- W2090147279 date "2010-08-01" @default.
- W2090147279 modified "2023-10-16" @default.
- W2090147279 title "Decarboxylation of pyrrole-2-carboxylic acid: A DFT investigation" @default.
- W2090147279 cites W1964134302 @default.
- W2090147279 cites W1967084544 @default.
- W2090147279 cites W1967964640 @default.
- W2090147279 cites W1968355476 @default.
- W2090147279 cites W1970319122 @default.
- W2090147279 cites W1970360418 @default.
- W2090147279 cites W1974348606 @default.
- W2090147279 cites W1982684977 @default.
- W2090147279 cites W1983613197 @default.
- W2090147279 cites W1987610756 @default.
- W2090147279 cites W1990822881 @default.
- W2090147279 cites W2000765956 @default.
- W2090147279 cites W2001258368 @default.
- W2090147279 cites W2002386616 @default.
- W2090147279 cites W2005986105 @default.
- W2090147279 cites W2008889869 @default.
- W2090147279 cites W2009391232 @default.
- W2090147279 cites W2013345915 @default.
- W2090147279 cites W2013538800 @default.
- W2090147279 cites W2014250806 @default.
- W2090147279 cites W2014767176 @default.
- W2090147279 cites W2020617622 @default.
- W2090147279 cites W2026258117 @default.
- W2090147279 cites W2026655598 @default.
- W2090147279 cites W2027080312 @default.
- W2090147279 cites W2031691942 @default.
- W2090147279 cites W2039559098 @default.
- W2090147279 cites W2049182589 @default.
- W2090147279 cites W2050227711 @default.
- W2090147279 cites W2051123552 @default.
- W2090147279 cites W2053536994 @default.
- W2090147279 cites W2054672788 @default.
- W2090147279 cites W2057003871 @default.
- W2090147279 cites W2058848030 @default.
- W2090147279 cites W2062879369 @default.
- W2090147279 cites W2065214872 @default.
- W2090147279 cites W2067094743 @default.
- W2090147279 cites W2068617439 @default.
- W2090147279 cites W2071510553 @default.
- W2090147279 cites W2079458939 @default.
- W2090147279 cites W2087820015 @default.
- W2090147279 cites W2090141453 @default.
- W2090147279 cites W2090747065 @default.
- W2090147279 cites W2097047714 @default.
- W2090147279 cites W2102419428 @default.
- W2090147279 cites W2107050021 @default.
- W2090147279 cites W2143981217 @default.
- W2090147279 cites W2329209650 @default.
- W2090147279 cites W2949888681 @default.
- W2090147279 cites W2950761519 @default.
- W2090147279 doi "https://doi.org/10.1016/j.cplett.2010.07.052" @default.
- W2090147279 hasPublicationYear "2010" @default.
- W2090147279 type Work @default.
- W2090147279 sameAs 2090147279 @default.
- W2090147279 citedByCount "9" @default.
- W2090147279 countsByYear W20901472792012 @default.
- W2090147279 countsByYear W20901472792013 @default.
- W2090147279 countsByYear W20901472792015 @default.
- W2090147279 countsByYear W20901472792016 @default.
- W2090147279 countsByYear W20901472792022 @default.
- W2090147279 crossrefType "journal-article" @default.
- W2090147279 hasAuthorship W2090147279A5050611867 @default.
- W2090147279 hasAuthorship W2090147279A5055342281 @default.
- W2090147279 hasAuthorship W2090147279A5055616745 @default.
- W2090147279 hasAuthorship W2090147279A5066682616 @default.
- W2090147279 hasAuthorship W2090147279A5084834971 @default.
- W2090147279 hasConcept C121332964 @default.
- W2090147279 hasConcept C145148216 @default.
- W2090147279 hasConcept C155647269 @default.
- W2090147279 hasConcept C161790260 @default.
- W2090147279 hasConcept C178790620 @default.
- W2090147279 hasConcept C185592680 @default.
- W2090147279 hasConcept C2777858879 @default.
- W2090147279 hasConcept C2779074116 @default.
- W2090147279 hasConcept C2779400197 @default.
- W2090147279 hasConcept C2779634684 @default.
- W2090147279 hasConcept C2780595602 @default.
- W2090147279 hasConcept C30095370 @default.
- W2090147279 hasConcept C54516573 @default.
- W2090147279 hasConcept C62520636 @default.
- W2090147279 hasConcept C75473681 @default.
- W2090147279 hasConcept C95121573 @default.
- W2090147279 hasConceptScore W2090147279C121332964 @default.
- W2090147279 hasConceptScore W2090147279C145148216 @default.
- W2090147279 hasConceptScore W2090147279C155647269 @default.
- W2090147279 hasConceptScore W2090147279C161790260 @default.
- W2090147279 hasConceptScore W2090147279C178790620 @default.
- W2090147279 hasConceptScore W2090147279C185592680 @default.